2-amino-7-(4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C13H11FN4O — CID 67239176

IUPAC2-amino-7-(4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESNc1ncc2c(n1)CC(c1ccc(F)cc1)NC2=O
InChIInChI=1S/C13H11FN4O/c14-8-3-1-7(2-4-8)10-5-11-9(12(19)17-10)6-16-13(15)18-11/h1-4,6,10H,5H2,(H,17,19)(H2,15,16,18)
InChIKeyUDGCXCCSDQNGSM-UHFFFAOYSA-N
MW258.26 g/mol
LogP1.23
Rot. Bonds1

About 2-amino-7-(4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

2-amino-7-(4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 67239176) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 2-amino-7-(4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-(4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID67239176
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name2-amino-7-(4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESNc1ncc2c(n1)CC(c1ccc(F)cc1)NC2=O
InChIInChI=1S/C13H11FN4O/c14-8-3-1-7(2-4-8)10-5-11-9(12(19)17-10)6-16-13(15)18-11/h1-4,6,10H,5H2,(H,17,19)(H2,15,16,18)
InChIKeyUDGCXCCSDQNGSM-UHFFFAOYSA-N
XLogP1.23
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-2-amino-7-[4-fluoro-2-(2-methylphenyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 59205073
(7R)-2-amino-7-(4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424852
2-amino-7-[4-fluoro-2-(3-methoxypyrazin-2-yl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67238183
(7R)-2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;(7R)-2-amino-7-(2-cyclopentyloxy-4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 159800986
2-amino-7-[[2-(2,4-dimethoxypyrimidin-5-yl)-4-fluorophenyl]methyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 90355750
(7R)-2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424930
(7R)-2-amino-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 738767
2-amino-7-[5-(6-methoxypyrazin-2-yl)-1,3-thiazol-4-yl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67237267
(4S)-4-(4-aminophenyl)azetidin-2-one
CID 142449189
7-(4-fluorophenyl)-5-(methoxyiminomethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 174611924
(2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86326370
2-amino-7-[4-fluoro-2-(2-methoxy-1,3-thiazol-5-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 67238292

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-7-(4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 67239176) is 2-amino-7-(4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-(4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-(4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is Nc1ncc2c(n1)CC(c1ccc(F)cc1)NC2=O.
What is the InChIKey of 2-amino-7-(4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is UDGCXCCSDQNGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c14-8-3-1-7(2-4-8)10-5-11-9(12(19)17-10)6-16-13(15)18-11/h1-4,6,10H,5H2,(H,17,19)(H2,15,16,18).
What are the key properties of 2-amino-7-(4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
2-amino-7-(4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 258.26 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(4-fluorophenyl)-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 67239176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).