1-methyl-6-phenyl-4-pyrimidin-4-ylpyridin-2-one

C16H13N3O — CID 53317124

IUPAC1-methyl-6-phenyl-4-pyrimidin-4-ylpyridin-2-one
SMILESCn1c(-c2ccccc2)cc(-c2ccncn2)cc1=O
InChIInChI=1S/C16H13N3O/c1-19-15(12-5-3-2-4-6-12)9-13(10-16(19)20)14-7-8-17-11-18-14/h2-11H,1H3
InChIKeyLVCNOQZTTKRVAC-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.51
Rot. Bonds2

About 1-methyl-6-phenyl-4-pyrimidin-4-ylpyridin-2-one

1-methyl-6-phenyl-4-pyrimidin-4-ylpyridin-2-one (PubChem CID 53317124) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-methyl-6-phenyl-4-pyrimidin-4-ylpyridin-2-one.

Molecular Properties

Compound Name1-methyl-6-phenyl-4-pyrimidin-4-ylpyridin-2-one
PubChem CID53317124
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name1-methyl-6-phenyl-4-pyrimidin-4-ylpyridin-2-one
SMILESCn1c(-c2ccccc2)cc(-c2ccncn2)cc1=O
InChIInChI=1S/C16H13N3O/c1-19-15(12-5-3-2-4-6-12)9-13(10-16(19)20)14-7-8-17-11-18-14/h2-11H,1H3
InChIKeyLVCNOQZTTKRVAC-UHFFFAOYSA-N
XLogP2.51
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-phenyl-4-pyrimidin-4-ylpyridin-2-one?
The IUPAC name of 1-methyl-6-phenyl-4-pyrimidin-4-ylpyridin-2-one (CID 53317124) is 1-methyl-6-phenyl-4-pyrimidin-4-ylpyridin-2-one.
What is the SMILES notation for 1-methyl-6-phenyl-4-pyrimidin-4-ylpyridin-2-one?
The canonical SMILES for 1-methyl-6-phenyl-4-pyrimidin-4-ylpyridin-2-one is Cn1c(-c2ccccc2)cc(-c2ccncn2)cc1=O.
What is the InChIKey of 1-methyl-6-phenyl-4-pyrimidin-4-ylpyridin-2-one?
The InChIKey is LVCNOQZTTKRVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-19-15(12-5-3-2-4-6-12)9-13(10-16(19)20)14-7-8-17-11-18-14/h2-11H,1H3.
What are the key properties of 1-methyl-6-phenyl-4-pyrimidin-4-ylpyridin-2-one?
1-methyl-6-phenyl-4-pyrimidin-4-ylpyridin-2-one has a molecular weight of 263.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-phenyl-4-pyrimidin-4-ylpyridin-2-one is sourced from PubChem (CID 53317124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).