2-(dimethylamino)-1-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-one

C16H15FN4O — CID 5072574

IUPAC2-(dimethylamino)-1-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCN(C)c1nc(=O)c2cccnc2n1Cc1ccc(F)cc1
InChIInChI=1S/C16H15FN4O/c1-20(2)16-19-15(22)13-4-3-9-18-14(13)21(16)10-11-5-7-12(17)8-6-11/h3-9H,10H2,1-2H3
InChIKeyDFYCWKAPROXTHP-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.04
Rot. Bonds3

About 2-(dimethylamino)-1-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-one

2-(dimethylamino)-1-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 5072574) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID5072574
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name2-(dimethylamino)-1-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCN(C)c1nc(=O)c2cccnc2n1Cc1ccc(F)cc1
InChIInChI=1S/C16H15FN4O/c1-20(2)16-19-15(22)13-4-3-9-18-14(13)21(16)10-11-5-7-12(17)8-6-11/h3-9H,10H2,1-2H3
InChIKeyDFYCWKAPROXTHP-UHFFFAOYSA-N
XLogP2.04
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(dimethylamino)-1-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-one (CID 5072574) is 2-(dimethylamino)-1-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(dimethylamino)-1-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(dimethylamino)-1-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-one is CN(C)c1nc(=O)c2cccnc2n1Cc1ccc(F)cc1.
What is the InChIKey of 2-(dimethylamino)-1-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is DFYCWKAPROXTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-20(2)16-19-15(22)13-4-3-9-18-14(13)21(16)10-11-5-7-12(17)8-6-11/h3-9H,10H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-one?
2-(dimethylamino)-1-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 298.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[(4-fluorophenyl)methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 5072574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).