2-methyl-4,5-diphenyl-1H-pyrimidin-6-one

C17H14N2O — CID 162219901

IUPAC2-methyl-4,5-diphenyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccccc2)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C17H14N2O/c1-12-18-16(14-10-6-3-7-11-14)15(17(20)19-12)13-8-4-2-5-9-13/h2-11H,1H3,(H,18,19,20)
InChIKeyZTZBJYQWZLQXKW-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.41
Rot. Bonds2

About 2-methyl-4,5-diphenyl-1H-pyrimidin-6-one

2-methyl-4,5-diphenyl-1H-pyrimidin-6-one (PubChem CID 162219901) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methyl-4,5-diphenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4,5-diphenyl-1H-pyrimidin-6-one
PubChem CID162219901
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-methyl-4,5-diphenyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccccc2)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C17H14N2O/c1-12-18-16(14-10-6-3-7-11-14)15(17(20)19-12)13-8-4-2-5-9-13/h2-11H,1H3,(H,18,19,20)
InChIKeyZTZBJYQWZLQXKW-UHFFFAOYSA-N
XLogP3.41
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-diphenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4,5-diphenyl-1H-pyrimidin-6-one (CID 162219901) is 2-methyl-4,5-diphenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4,5-diphenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4,5-diphenyl-1H-pyrimidin-6-one is Cc1nc(-c2ccccc2)c(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-4,5-diphenyl-1H-pyrimidin-6-one?
The InChIKey is ZTZBJYQWZLQXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-12-18-16(14-10-6-3-7-11-14)15(17(20)19-12)13-8-4-2-5-9-13/h2-11H,1H3,(H,18,19,20).
What are the key properties of 2-methyl-4,5-diphenyl-1H-pyrimidin-6-one?
2-methyl-4,5-diphenyl-1H-pyrimidin-6-one has a molecular weight of 262.31 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-diphenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 162219901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).