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

C16H15FN4O — CID 13425139

IUPAC1-[(4-fluorophenyl)methyl]-3-methyl-2-methyliminopyrido[2,3-d]pyrimidin-4-one
SMILESC/N=c1\n(C)c(=O)c2cccnc2n1Cc1ccc(F)cc1
InChIInChI=1S/C16H15FN4O/c1-18-16-20(2)15(22)13-4-3-9-19-14(13)21(16)10-11-5-7-12(17)8-6-11/h3-9H,10H2,1-2H3/b18-16+
InChIKeyFQMVKSOSNGDNER-FBMGVBCBSA-N
MW298.32 g/mol
LogP1.45
Rot. Bonds2

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

1-[(4-fluorophenyl)methyl]-3-methyl-2-methyliminopyrido[2,3-d]pyrimidin-4-one (PubChem CID 13425139) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-methyl-2-methyliminopyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-methyl-2-methyliminopyrido[2,3-d]pyrimidin-4-one
PubChem CID13425139
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name1-[(4-fluorophenyl)methyl]-3-methyl-2-methyliminopyrido[2,3-d]pyrimidin-4-one
SMILESC/N=c1\n(C)c(=O)c2cccnc2n1Cc1ccc(F)cc1
InChIInChI=1S/C16H15FN4O/c1-18-16-20(2)15(22)13-4-3-9-19-14(13)21(16)10-11-5-7-12(17)8-6-11/h3-9H,10H2,1-2H3/b18-16+
InChIKeyFQMVKSOSNGDNER-FBMGVBCBSA-N
XLogP1.45
TPSA52.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-methyl-2-methyliminopyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-methyl-2-methyliminopyrido[2,3-d]pyrimidin-4-one (CID 13425139) is 1-[(4-fluorophenyl)methyl]-3-methyl-2-methyliminopyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-methyl-2-methyliminopyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-methyl-2-methyliminopyrido[2,3-d]pyrimidin-4-one is C/N=c1\n(C)c(=O)c2cccnc2n1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-methyl-2-methyliminopyrido[2,3-d]pyrimidin-4-one?
The InChIKey is FQMVKSOSNGDNER-FBMGVBCBSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-18-16-20(2)15(22)13-4-3-9-19-14(13)21(16)10-11-5-7-12(17)8-6-11/h3-9H,10H2,1-2H3/b18-16+.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-methyl-2-methyliminopyrido[2,3-d]pyrimidin-4-one?
1-[(4-fluorophenyl)methyl]-3-methyl-2-methyliminopyrido[2,3-d]pyrimidin-4-one has a molecular weight of 298.32 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-methyl-2-methyliminopyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 13425139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).