3-(2-methylphenyl)-2-phenylpyrimidin-4-one

C17H14N2O — CID 3021390

IUPAC3-(2-methylphenyl)-2-phenylpyrimidin-4-one
SMILESCc1ccccc1-n1c(-c2ccccc2)nccc1=O
InChIInChI=1S/C17H14N2O/c1-13-7-5-6-10-15(13)19-16(20)11-12-18-17(19)14-8-3-2-4-9-14/h2-12H,1H3
InChIKeyMKROCMNSUHUESV-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.21
Rot. Bonds2

About 3-(2-methylphenyl)-2-phenylpyrimidin-4-one

3-(2-methylphenyl)-2-phenylpyrimidin-4-one (PubChem CID 3021390) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-2-phenylpyrimidin-4-one
PubChem CID3021390
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name3-(2-methylphenyl)-2-phenylpyrimidin-4-one
SMILESCc1ccccc1-n1c(-c2ccccc2)nccc1=O
InChIInChI=1S/C17H14N2O/c1-13-7-5-6-10-15(13)19-16(20)11-12-18-17(19)14-8-3-2-4-9-14/h2-12H,1H3
InChIKeyMKROCMNSUHUESV-UHFFFAOYSA-N
XLogP3.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2-phenylpyrimidin-4-one?
The IUPAC name of 3-(2-methylphenyl)-2-phenylpyrimidin-4-one (CID 3021390) is 3-(2-methylphenyl)-2-phenylpyrimidin-4-one.
What is the SMILES notation for 3-(2-methylphenyl)-2-phenylpyrimidin-4-one?
The canonical SMILES for 3-(2-methylphenyl)-2-phenylpyrimidin-4-one is Cc1ccccc1-n1c(-c2ccccc2)nccc1=O.
What is the InChIKey of 3-(2-methylphenyl)-2-phenylpyrimidin-4-one?
The InChIKey is MKROCMNSUHUESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-13-7-5-6-10-15(13)19-16(20)11-12-18-17(19)14-8-3-2-4-9-14/h2-12H,1H3.
What are the key properties of 3-(2-methylphenyl)-2-phenylpyrimidin-4-one?
3-(2-methylphenyl)-2-phenylpyrimidin-4-one has a molecular weight of 262.31 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-2-phenylpyrimidin-4-one is sourced from PubChem (CID 3021390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).