1-(2-chlorophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one

C18H15ClN2O — CID 828231

IUPAC1-(2-chlorophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccccc1Cl
InChIInChI=1S/C18H15ClN2O/c1-12-17(14-8-4-3-5-9-14)18(22)20-13(2)21(12)16-11-7-6-10-15(16)19/h3-11H,1-2H3
InChIKeyWGXCYXDWOWFWTM-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.17
Rot. Bonds2

About 1-(2-chlorophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one

1-(2-chlorophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one (PubChem CID 828231) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
PubChem CID828231
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name1-(2-chlorophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccccc1Cl
InChIInChI=1S/C18H15ClN2O/c1-12-17(14-8-4-3-5-9-14)18(22)20-13(2)21(12)16-11-7-6-10-15(16)19/h3-11H,1-2H3
InChIKeyWGXCYXDWOWFWTM-UHFFFAOYSA-N
XLogP4.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
The IUPAC name of 1-(2-chlorophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one (CID 828231) is 1-(2-chlorophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one.
What is the SMILES notation for 1-(2-chlorophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
The canonical SMILES for 1-(2-chlorophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one is Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
The InChIKey is WGXCYXDWOWFWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c1-12-17(14-8-4-3-5-9-14)18(22)20-13(2)21(12)16-11-7-6-10-15(16)19/h3-11H,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one?
1-(2-chlorophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one has a molecular weight of 310.78 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one is sourced from PubChem (CID 828231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).