1-benzyl-5-chloro-2-methylpyrimidin-4-one

C12H11ClN2O — CID 145173710

IUPAC1-benzyl-5-chloro-2-methylpyrimidin-4-one
SMILESCc1nc(=O)c(Cl)cn1Cc1ccccc1
InChIInChI=1S/C12H11ClN2O/c1-9-14-12(16)11(13)8-15(9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyVSRHCDBMZFZYLG-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.25
Rot. Bonds2

About 1-benzyl-5-chloro-2-methylpyrimidin-4-one

1-benzyl-5-chloro-2-methylpyrimidin-4-one (PubChem CID 145173710) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 1-benzyl-5-chloro-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-5-chloro-2-methylpyrimidin-4-one
PubChem CID145173710
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name1-benzyl-5-chloro-2-methylpyrimidin-4-one
SMILESCc1nc(=O)c(Cl)cn1Cc1ccccc1
InChIInChI=1S/C12H11ClN2O/c1-9-14-12(16)11(13)8-15(9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyVSRHCDBMZFZYLG-UHFFFAOYSA-N
XLogP2.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-ethyl-2-methylimidazole
CID 156528930
1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one
CID 145173694
1-benzyl-4-ethenyl-2-methylimidazole
CID 16665128
1-benzyl-2-methyl-4-(trifluoromethyl)imidazole
CID 101096639
1-benzyl-3-methoxy-5-phenylpyrazin-2-one
CID 86053729
1-benzyl-2-[3-chloro-2-(trifluoromethyl)phenyl]-5-methoxypyrimidin-4-one
CID 134565363
1-benzyl-3-tert-butyl-5-chloropyrazin-2-one
CID 15733303
3-benzyl-6-chloro-2,5-dimethylpyrimidin-4-one
CID 143373161
5-amino-1-benzyl-2-(3-chloro-2-methylanilino)pyrimidin-4-one
CID 134290153
1-benzyl-5-chloro-2-[2-methyl-5-(1-oxo-1,2-thiazolidin-2-yl)anilino]pyrimidin-4-one
CID 134290626
1-benzyl-2-[(3-chloro-2-methylphenyl)methylamino]-5-methoxypyrimidin-4-one
CID 134290212
1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole
CID 123736359

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-2-methylpyrimidin-4-one?
The IUPAC name of 1-benzyl-5-chloro-2-methylpyrimidin-4-one (CID 145173710) is 1-benzyl-5-chloro-2-methylpyrimidin-4-one.
What is the SMILES notation for 1-benzyl-5-chloro-2-methylpyrimidin-4-one?
The canonical SMILES for 1-benzyl-5-chloro-2-methylpyrimidin-4-one is Cc1nc(=O)c(Cl)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-chloro-2-methylpyrimidin-4-one?
The InChIKey is VSRHCDBMZFZYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-9-14-12(16)11(13)8-15(9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 1-benzyl-5-chloro-2-methylpyrimidin-4-one?
1-benzyl-5-chloro-2-methylpyrimidin-4-one has a molecular weight of 234.69 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-2-methylpyrimidin-4-one is sourced from PubChem (CID 145173710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).