2-[(4-fluorophenyl)methylamino]-3-methylpyrido[4,3-d]pyrimidin-4-one

C15H13FN4O — CID 141245984

IUPAC2-[(4-fluorophenyl)methylamino]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1c(NCc2ccc(F)cc2)nc2ccncc2c1=O
InChIInChI=1S/C15H13FN4O/c1-20-14(21)12-9-17-7-6-13(12)19-15(20)18-8-10-2-4-11(16)5-3-10/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyJIMABEUKFACBHO-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.08
Rot. Bonds3

About 2-[(4-fluorophenyl)methylamino]-3-methylpyrido[4,3-d]pyrimidin-4-one

2-[(4-fluorophenyl)methylamino]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 141245984) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID141245984
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name2-[(4-fluorophenyl)methylamino]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1c(NCc2ccc(F)cc2)nc2ccncc2c1=O
InChIInChI=1S/C15H13FN4O/c1-20-14(21)12-9-17-7-6-13(12)19-15(20)18-8-10-2-4-11(16)5-3-10/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyJIMABEUKFACBHO-UHFFFAOYSA-N
XLogP2.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 141245984) is 2-[(4-fluorophenyl)methylamino]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-3-methylpyrido[4,3-d]pyrimidin-4-one is Cn1c(NCc2ccc(F)cc2)nc2ccncc2c1=O.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is JIMABEUKFACBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-20-14(21)12-9-17-7-6-13(12)19-15(20)18-8-10-2-4-11(16)5-3-10/h2-7,9H,8H2,1H3,(H,18,19).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-3-methylpyrido[4,3-d]pyrimidin-4-one?
2-[(4-fluorophenyl)methylamino]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 284.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 141245984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).