1,4-dimethyl-6-phenylpyrimidin-2-one

C12H12N2O — CID 12596967

IUPAC1,4-dimethyl-6-phenylpyrimidin-2-one
SMILESCc1cc(-c2ccccc2)n(C)c(=O)n1
InChIInChI=1S/C12H12N2O/c1-9-8-11(14(2)12(15)13-9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyBEVNAEWAGLGYRC-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.76
Rot. Bonds1

About 1,4-dimethyl-6-phenylpyrimidin-2-one

1,4-dimethyl-6-phenylpyrimidin-2-one (PubChem CID 12596967) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1,4-dimethyl-6-phenylpyrimidin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-6-phenylpyrimidin-2-one
PubChem CID12596967
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1,4-dimethyl-6-phenylpyrimidin-2-one
SMILESCc1cc(-c2ccccc2)n(C)c(=O)n1
InChIInChI=1S/C12H12N2O/c1-9-8-11(14(2)12(15)13-9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyBEVNAEWAGLGYRC-UHFFFAOYSA-N
XLogP1.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-phenylpyrimidin-2-one?
The IUPAC name of 1,4-dimethyl-6-phenylpyrimidin-2-one (CID 12596967) is 1,4-dimethyl-6-phenylpyrimidin-2-one.
What is the SMILES notation for 1,4-dimethyl-6-phenylpyrimidin-2-one?
The canonical SMILES for 1,4-dimethyl-6-phenylpyrimidin-2-one is Cc1cc(-c2ccccc2)n(C)c(=O)n1.
What is the InChIKey of 1,4-dimethyl-6-phenylpyrimidin-2-one?
The InChIKey is BEVNAEWAGLGYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-8-11(14(2)12(15)13-9)10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of 1,4-dimethyl-6-phenylpyrimidin-2-one?
1,4-dimethyl-6-phenylpyrimidin-2-one has a molecular weight of 200.24 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-phenylpyrimidin-2-one is sourced from PubChem (CID 12596967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).