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160009-37-0 | 5-Pyrimidinecarboxylic acid, 2-amino-4-(4-fluorophenyl)-6-(1-methylethyl)-, methyl ester
CAS No: 160009-37-0 Catalog No: AG001RLK MDL No:
Product Description
Catalog Number:
AG001RLK
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-amino-4-(4-fluorophenyl)-6-(1-methylethyl)-, methyl ester
CAS Number:
160009-37-0
Molecular Formula:
C15H16FN3O2
Molecular Weight:
289.3048
IUPAC Name:
methyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate
InChI:
InChI=1S/C15H16FN3O2/c1-8(2)12-11(14(20)21-3)13(19-15(17)18-12)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
InChI Key:
RMYXELUYVYVDAI-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(nc(nc1C(C)C)N)c1ccc(cc1)F
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.123g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.31g/mol
Monoisotopic Mass:
289.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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