1-[(2,5-dimethylphenyl)methyl]pyrimidin-2-one

C13H14N2O — CID 115590410

IUPAC1-[(2,5-dimethylphenyl)methyl]pyrimidin-2-one
SMILESCc1ccc(C)c(Cn2cccnc2=O)c1
InChIInChI=1S/C13H14N2O/c1-10-4-5-11(2)12(8-10)9-15-7-3-6-14-13(15)16/h3-8H,9H2,1-2H3
InChIKeyWNBRZYDMBCXVCX-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.91
Rot. Bonds2

About 1-[(2,5-dimethylphenyl)methyl]pyrimidin-2-one

1-[(2,5-dimethylphenyl)methyl]pyrimidin-2-one (PubChem CID 115590410) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]pyrimidin-2-one
PubChem CID115590410
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-[(2,5-dimethylphenyl)methyl]pyrimidin-2-one
SMILESCc1ccc(C)c(Cn2cccnc2=O)c1
InChIInChI=1S/C13H14N2O/c1-10-4-5-11(2)12(8-10)9-15-7-3-6-14-13(15)16/h3-8H,9H2,1-2H3
InChIKeyWNBRZYDMBCXVCX-UHFFFAOYSA-N
XLogP1.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one
CID 61226450
1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one
CID 115614095
1-[(2,5-dimethylphenyl)methyl]pyrrole-2-carbaldehyde
CID 66408774
1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]ethanone
CID 79106592
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 55048661
5-methyl-4-[(2-oxopyrimidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 80731236
(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95295538
1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 830340
1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
CID 7598678
3-fluoro-4-[(2-oxopyrimidin-1-yl)methyl]benzamide
CID 116618428
N-(2,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598638
3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 51280236

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]pyrimidin-2-one?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]pyrimidin-2-one (CID 115590410) is 1-[(2,5-dimethylphenyl)methyl]pyrimidin-2-one.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]pyrimidin-2-one?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]pyrimidin-2-one is Cc1ccc(C)c(Cn2cccnc2=O)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]pyrimidin-2-one?
The InChIKey is WNBRZYDMBCXVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-4-5-11(2)12(8-10)9-15-7-3-6-14-13(15)16/h3-8H,9H2,1-2H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]pyrimidin-2-one?
1-[(2,5-dimethylphenyl)methyl]pyrimidin-2-one has a molecular weight of 214.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]pyrimidin-2-one is sourced from PubChem (CID 115590410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).