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

C18H14Cl2N2O — CID 7747856

IUPAC3-[(2,6-dichlorophenyl)methyl]-2-methyl-6-phenylpyrimidin-4-one
SMILESCc1nc(-c2ccccc2)cc(=O)n1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H14Cl2N2O/c1-12-21-17(13-6-3-2-4-7-13)10-18(23)22(12)11-14-15(19)8-5-9-16(14)20/h2-10H,11H2,1H3
InChIKeyKMZRHLUXSLCHOR-UHFFFAOYSA-N
MW345.23 g/mol
LogP4.57
Rot. Bonds3

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

3-[(2,6-dichlorophenyl)methyl]-2-methyl-6-phenylpyrimidin-4-one (PubChem CID 7747856) has the molecular formula C18H14Cl2N2O and a molecular weight of 345.23 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl]-2-methyl-6-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl]-2-methyl-6-phenylpyrimidin-4-one
PubChem CID7747856
Molecular FormulaC18H14Cl2N2O
Molecular Weight345.23 g/mol
Exact Mass344.05
IUPAC Name3-[(2,6-dichlorophenyl)methyl]-2-methyl-6-phenylpyrimidin-4-one
SMILESCc1nc(-c2ccccc2)cc(=O)n1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H14Cl2N2O/c1-12-21-17(13-6-3-2-4-7-13)10-18(23)22(12)11-14-15(19)8-5-9-16(14)20/h2-10H,11H2,1H3
InChIKeyKMZRHLUXSLCHOR-UHFFFAOYSA-N
XLogP4.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methyl]-2-methylsulfanyl-6-phenylpyrimidin-4-one
CID 7748257
2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-naphthalen-1-ylacetamide
CID 7747904
N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 7747874
3-[(4-methylphenyl)methyl]-2-methylsulfanyl-6-phenylpyrimidin-4-one
CID 7748253
2-benzylsulfanyl-3-[(2-chlorophenyl)methyl]-6-phenylpyrimidin-4-one
CID 7748642
3-benzyl-6-hydroxy-2-methylpyrimidin-4-one
CID 135737348
2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)-N-(4-methylphenyl)sulfonylacetamide
CID 7747925
3-[(4-methylphenyl)methyl]-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one
CID 7748815
N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 7747939
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one
CID 7747963
6-chloro-3-[(4-iodophenyl)methyl]-2-methylpyrimidin-4-one
CID 114581841
1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001690

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-2-methyl-6-phenylpyrimidin-4-one?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-2-methyl-6-phenylpyrimidin-4-one (CID 7747856) is 3-[(2,6-dichlorophenyl)methyl]-2-methyl-6-phenylpyrimidin-4-one.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl]-2-methyl-6-phenylpyrimidin-4-one?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl]-2-methyl-6-phenylpyrimidin-4-one is Cc1nc(-c2ccccc2)cc(=O)n1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl]-2-methyl-6-phenylpyrimidin-4-one?
The InChIKey is KMZRHLUXSLCHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O/c1-12-21-17(13-6-3-2-4-7-13)10-18(23)22(12)11-14-15(19)8-5-9-16(14)20/h2-10H,11H2,1H3.
What are the key properties of 3-[(2,6-dichlorophenyl)methyl]-2-methyl-6-phenylpyrimidin-4-one?
3-[(2,6-dichlorophenyl)methyl]-2-methyl-6-phenylpyrimidin-4-one has a molecular weight of 345.23 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methyl]-2-methyl-6-phenylpyrimidin-4-one is sourced from PubChem (CID 7747856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).