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

C17H12Cl2N2O — CID 3071130

IUPAC3-(2,6-dichlorophenyl)-2-methyl-6-phenylpyrimidin-4-one
SMILESCc1nc(-c2ccccc2)cc(=O)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H12Cl2N2O/c1-11-20-15(12-6-3-2-4-7-12)10-16(22)21(11)17-13(18)8-5-9-14(17)19/h2-10H,1H3
InChIKeyLPWPCGBVIJVGLZ-UHFFFAOYSA-N
MW331.20 g/mol
LogP4.51
Rot. Bonds2

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

3-(2,6-dichlorophenyl)-2-methyl-6-phenylpyrimidin-4-one (PubChem CID 3071130) has the molecular formula C17H12Cl2N2O and a molecular weight of 331.20 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2-methyl-6-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2-methyl-6-phenylpyrimidin-4-one
PubChem CID3071130
Molecular FormulaC17H12Cl2N2O
Molecular Weight331.20 g/mol
Exact Mass330.03
IUPAC Name3-(2,6-dichlorophenyl)-2-methyl-6-phenylpyrimidin-4-one
SMILESCc1nc(-c2ccccc2)cc(=O)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H12Cl2N2O/c1-11-20-15(12-6-3-2-4-7-12)10-16(22)21(11)17-13(18)8-5-9-14(17)19/h2-10H,1H3
InChIKeyLPWPCGBVIJVGLZ-UHFFFAOYSA-N
XLogP4.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2-methyl-6-phenylpyrimidin-4-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-2-methyl-6-phenylpyrimidin-4-one (CID 3071130) is 3-(2,6-dichlorophenyl)-2-methyl-6-phenylpyrimidin-4-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2-methyl-6-phenylpyrimidin-4-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2-methyl-6-phenylpyrimidin-4-one is Cc1nc(-c2ccccc2)cc(=O)n1-c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2-methyl-6-phenylpyrimidin-4-one?
The InChIKey is LPWPCGBVIJVGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O/c1-11-20-15(12-6-3-2-4-7-12)10-16(22)21(11)17-13(18)8-5-9-14(17)19/h2-10H,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-2-methyl-6-phenylpyrimidin-4-one?
3-(2,6-dichlorophenyl)-2-methyl-6-phenylpyrimidin-4-one has a molecular weight of 331.20 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-2-methyl-6-phenylpyrimidin-4-one is sourced from PubChem (CID 3071130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).