2,6-dimethyl-3-phenylpyrimidin-4-one

C12H12N2O — CID 608225

IUPAC2,6-dimethyl-3-phenylpyrimidin-4-one
SMILESCc1cc(=O)n(-c2ccccc2)c(C)n1
InChIInChI=1S/C12H12N2O/c1-9-8-12(15)14(10(2)13-9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyGOJQLATUSQROKM-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.85
Rot. Bonds1

About 2,6-dimethyl-3-phenylpyrimidin-4-one

2,6-dimethyl-3-phenylpyrimidin-4-one (PubChem CID 608225) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2,6-dimethyl-3-phenylpyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-phenylpyrimidin-4-one
PubChem CID608225
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2,6-dimethyl-3-phenylpyrimidin-4-one
SMILESCc1cc(=O)n(-c2ccccc2)c(C)n1
InChIInChI=1S/C12H12N2O/c1-9-8-12(15)14(10(2)13-9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyGOJQLATUSQROKM-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-phenylpyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-phenylpyrimidin-4-one (CID 608225) is 2,6-dimethyl-3-phenylpyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-phenylpyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-phenylpyrimidin-4-one is Cc1cc(=O)n(-c2ccccc2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-phenylpyrimidin-4-one?
The InChIKey is GOJQLATUSQROKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-8-12(15)14(10(2)13-9)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 2,6-dimethyl-3-phenylpyrimidin-4-one?
2,6-dimethyl-3-phenylpyrimidin-4-one has a molecular weight of 200.24 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-phenylpyrimidin-4-one is sourced from PubChem (CID 608225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).