N-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxy-2-methylpropanamide

Update Time: 2025-04-25 16:33:36

	Common Name	N-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxy-2-methylpropanamide	English Name	N-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxy-2-methylpropanamide
	CAS NO.	N/A	Molecular Weight	517.4
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₁H₂₇BrF₂N₄O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	N-[3-[[5-bromo-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]propyl]-2-hydroxy-2-methylpropanamide

Molecular Formula	C21H27BrF2N4O4
Molecular Weight	517.4
Exact Mass	516.11837
LogP	2.50
Standard SMILES	CC(C)n1c(NCCCNC(=O)C(C)(C)O)nc(OCc2ccc(F)cc2F)c(Br)c1=O
Canonical SMILES	CC(C)N1C(=O)C(=C(N=C1NCCCNC(=O)C(C)(C)O)OCC2=C(C=C(C=C2)F)F)Br
Isomeric SMILES	CC(C)N1C(=O)C(=C(N=C1NCCCNC(=O)C(C)(C)O)OCC2=C(C=C(C=C2)F)F)Br
Standard InChI Identifier	InChI=1S/C21H27BrF2N4O4/c1-12(2)28-18(29)16(22)17(32-11-13-6-7-14(23)10-15(13)24)27-20(28)26-9-5-8-25-19(30)21(3,4)31/h6-7,10,12,31H,5,8-9,11H2,1-4H3,(H,25,30)(H,26,27)
Standard InChI Key	UEJKJMYZYNSSCL-UHFFFAOYSA-N
Compound Complexity	760.00
computational chemistry	Hydrogen Bond Acceptor Count：7 Hydrogen Bond Donor Count：3 Rotatable Bond Count：10 Heavy Atom Count：32 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：0 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：516.11837