5-Pyrimidinecarboxylicacid,4-(4-cyanophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-,methylester(9CI)

Modify Date: 2025-10-10 11:11:38

5-Pyrimidinecarboxylicacid,4-(4-cyanophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-,methylester(9CI) structure	Common Name	5-Pyrimidinecarboxylicacid,4-(4-cyanophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-,methylester(9CI)
	CAS Number	380639-21-4	Molecular Weight	271.27100
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₄H₁₃N₃O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	5-Pyrimidinecarboxylicacid,4-(4-cyanophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-,methylester(9CI)
Synonym	More Synonyms

Molecular Formula	C₁₄H₁₃N₃O₃
Molecular Weight	271.27100
Exact Mass	271.09600
PSA	91.22000
LogP	2.01678
InChIKey	XLJCGFDHAWVCSF-UHFFFAOYSA-N
SMILES	COC(=O)C1=C(C)NC(=O)NC1c1ccc(C#N)cc1

Methyl acetoacetate

CAS#:105-45-3

4-Cyanobenzaldehyde

CAS#:105-07-7

Urea

CAS#:57-13-6

~83%

5-Pyrimidinecar...

CAS#:380639-21-4

Literature: Mukhopadhyay, Chhanda; Datta, Arup Journal of Heterocyclic Chemistry, 2010 , vol. 47, # 1 p. 136 - 146

Precursor 3
CAS#:105-45-3 Methyl acetoacetate CAS#:105-07-7 4-Cyanobenzaldehyde CAS#:57-13-6 Urea
DownStream 0

5-methoxycarbonyl-5-methyl-1-pyrroline N-oxide

5-methoxycarbonyl-2-furyl 5-methyl-2-furyl ketone

Names