3-[(2-methylphenyl)methyl]-6-phenylpyrimidin-4-one

C18H16N2O — CID 30462724

IUPAC3-[(2-methylphenyl)methyl]-6-phenylpyrimidin-4-one
SMILESCc1ccccc1Cn1cnc(-c2ccccc2)cc1=O
InChIInChI=1S/C18H16N2O/c1-14-7-5-6-10-16(14)12-20-13-19-17(11-18(20)21)15-8-3-2-4-9-15/h2-11,13H,12H2,1H3
InChIKeyXMXODQDTNZHTHK-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.27
Rot. Bonds3

About 3-[(2-methylphenyl)methyl]-6-phenylpyrimidin-4-one

3-[(2-methylphenyl)methyl]-6-phenylpyrimidin-4-one (PubChem CID 30462724) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methyl]-6-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-methylphenyl)methyl]-6-phenylpyrimidin-4-one
PubChem CID30462724
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-[(2-methylphenyl)methyl]-6-phenylpyrimidin-4-one
SMILESCc1ccccc1Cn1cnc(-c2ccccc2)cc1=O
InChIInChI=1S/C18H16N2O/c1-14-7-5-6-10-16(14)12-20-13-19-17(11-18(20)21)15-8-3-2-4-9-15/h2-11,13H,12H2,1H3
InChIKeyXMXODQDTNZHTHK-UHFFFAOYSA-N
XLogP3.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dordaviprone
CID 73777259
2-Phenylpyrimido(2,1-a)isoindol-4(6H)-one
CID 663273
7-Benzyl-10-(2-methylbenzyl)-2,3,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[4,3-d]pyrimidin-5(10H)-one
CID 336423
1-benzyl-2,6-dimethyl-5-phenyl-4(1H)-pyrimidinone
CID 781510
11-Benzyl-7-[(2-methylphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5-dien-10-one
CID 85090241
3-[5-(4-Benzylpiperazin-1-yl)pentyl]-6-phenylpyrimidin-4-one
CID 134131151
N'-[1-[(4-fluorophenyl)methyl]-4-methyl-6-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 9657452
1-Benzyl-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile
CID 787457
8-Ethyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
CID 44622576
5-Benzyl-11-[(2-methylphenyl)methyl]-1,5,9,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),9-dien-8-one
CID 166161713
2,7-Diphenylpyrido[1,2-a]pyrimidin-4-one
CID 56647941
2-{[benzyl(methyl)amino]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 45851229

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methyl]-6-phenylpyrimidin-4-one?
The IUPAC name of 3-[(2-methylphenyl)methyl]-6-phenylpyrimidin-4-one (CID 30462724) is 3-[(2-methylphenyl)methyl]-6-phenylpyrimidin-4-one.
What is the SMILES notation for 3-[(2-methylphenyl)methyl]-6-phenylpyrimidin-4-one?
The canonical SMILES for 3-[(2-methylphenyl)methyl]-6-phenylpyrimidin-4-one is Cc1ccccc1Cn1cnc(-c2ccccc2)cc1=O.
What is the InChIKey of 3-[(2-methylphenyl)methyl]-6-phenylpyrimidin-4-one?
The InChIKey is XMXODQDTNZHTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-14-7-5-6-10-16(14)12-20-13-19-17(11-18(20)21)15-8-3-2-4-9-15/h2-11,13H,12H2,1H3.
What are the key properties of 3-[(2-methylphenyl)methyl]-6-phenylpyrimidin-4-one?
3-[(2-methylphenyl)methyl]-6-phenylpyrimidin-4-one has a molecular weight of 276.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methyl]-6-phenylpyrimidin-4-one is sourced from PubChem (CID 30462724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).