4-[(2,4-Diaminopyrimidine-5-yl)methyl]-2,6-dimethoxy-α,α-dimethylbenzenemethanol

Modify Date: 2025-08-26 01:13:00

4-[(2,4-Diaminopyrimidine-5-yl)methyl]-2,6-dimethoxy-α,α-dimethylbenzenemethanol Structure
4-[(2,4-Diaminopyrimidine-5-yl)methyl]-2,6-dimethoxy-α,α-dimethylbenzenemethanol structure
 Common Name 4-[(2,4-Diaminopyrimidine-5-yl)methyl]-2,6-dimethoxy-α,α-dimethylbenzenemethanol
CAS Number 55687-91-7 Molecular Weight 318.37100
Density 1.245g/cm3 Boiling Point 610ºC at 760 mmHg
Molecular Formula C16H22N4O3 Melting Point N/A
MSDS N/A Flash Point 322.7ºC

 Names

Name 2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]propan-2-ol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.245g/cm3
Boiling Point 610ºC at 760 mmHg
Molecular Formula C16H22N4O3
Molecular Weight 318.37100
Flash Point 322.7ºC
Exact Mass 318.16900
PSA 117.97000
LogP 1.33660
Index of Refraction 1.612
InChIKey ZEHBWBDRLQCJBQ-UHFFFAOYSA-N
SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1C(C)(C)O

 Synthetic Route

Guanidine hydrochloride structure

Guanidine hydro...

CAS#:50-01-1

2-(4-(2-hydroxypropan-2-yl)-3,5-dimethoxybenzyl)-3-(phenylamino)acrylonitrile structure

2-(4-(2-hydroxy...

CAS#:74731-75-2

~90%

4-[(2,4-Diaminopyrimidine-5-yl)methyl]-2,6-dimethoxy-α,α-dimethylbenzenemethanol Structure

4-[(2,4-Diamino...

CAS#:55687-91-7

Literature: Kompis; Then; Boehni; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 1 p. 17 - 22
2-[4-(4-acetylamino-2-amino-pyrimidin-5-ylmethyl)-2,6-dimethoxy-phenyl]-propan-2-ol structure

2-[4-(4-acetyla...

CAS#:55687-90-6

~%

4-[(2,4-Diaminopyrimidine-5-yl)methyl]-2,6-dimethoxy-α,α-dimethylbenzenemethanol Structure

4-[(2,4-Diamino...

CAS#:55687-91-7

Literature: Hoffmann-La Roche Inc. Patent: US3931181 A1, 1976 ;
1,1,1-trichloro-2-isocyanatoethane structure

1,1,1-trichloro...

CAS#:55687-93-9

Guanidine hydrochloride structure

Guanidine hydro...

CAS#:50-01-1

~%

4-[(2,4-Diaminopyrimidine-5-yl)methyl]-2,6-dimethoxy-α,α-dimethylbenzenemethanol Structure

4-[(2,4-Diamino...

CAS#:55687-91-7

Literature: Hoffmann-La Roche Inc. Patent: US3931181 A1, 1976 ;
methyl 4-formyl-2,6-dimethoxybenzoate structure

methyl 4-formyl...

CAS#:33187-98-3

~%

4-[(2,4-Diaminopyrimidine-5-yl)methyl]-2,6-dimethoxy-α,α-dimethylbenzenemethanol Structure

4-[(2,4-Diamino...

CAS#:55687-91-7

Literature: Kompis; Then; Boehni; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 1 p. 17 - 22
methyl 2,6-dimethoxy-4-(α,α-diethoxymethyl)benzoate structure

methyl 2,6-dime...

CAS#:55687-80-4

~%

4-[(2,4-Diaminopyrimidine-5-yl)methyl]-2,6-dimethoxy-α,α-dimethylbenzenemethanol Structure

4-[(2,4-Diamino...

CAS#:55687-91-7

Literature: Kompis; Then; Boehni; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 1 p. 17 - 22
4-(1-hydroxy-1-methylethyl)-3,5-dimethoxybenzaldehyde structure

4-(1-hydroxy-1-...

CAS#:55687-94-0

~%

4-[(2,4-Diaminopyrimidine-5-yl)methyl]-2,6-dimethoxy-α,α-dimethylbenzenemethanol Structure

4-[(2,4-Diamino...

CAS#:55687-91-7

Literature: Kompis; Then; Boehni; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 1 p. 17 - 22
2-(N-phthalimidoethyl)-1,2,3-benzotriazole structure

2-(N-phthalimid...

CAS#:74731-73-0

~%

4-[(2,4-Diaminopyrimidine-5-yl)methyl]-2,6-dimethoxy-α,α-dimethylbenzenemethanol Structure

4-[(2,4-Diamino...

CAS#:55687-91-7

Literature: Kompis; Then; Boehni; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 1 p. 17 - 22

 Synonyms

DHFR inhibitor
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Chemsrc provides CAS#:55687-91-7 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-[(2,4-Diaminopyrimidine-5-yl)methyl]-2,6-dimethoxy-α,α-dimethylbenzenemethanol>> amp version: 4-[(2,4-Diaminopyrimidine-5-yl)methyl]-2,6-dimethoxy-α,α-dimethylbenzenemethanol

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