6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one

C17H14N2O — CID 621547

IUPAC6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(=O)[nH]2)cc1
InChIInChI=1S/C17H14N2O/c1-12-7-9-14(10-8-12)16-11-15(18-17(20)19-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,20)
InChIKeyVBHXTVAAZUWVMQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.41
Rot. Bonds2

About 6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one

6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one (PubChem CID 621547) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one
PubChem CID621547
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one
SMILESCc1ccc(-c2cc(-c3ccccc3)nc(=O)[nH]2)cc1
InChIInChI=1S/C17H14N2O/c1-12-7-9-14(10-8-12)16-11-15(18-17(20)19-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,20)
InChIKeyVBHXTVAAZUWVMQ-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 6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one?
The IUPAC name of 6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one (CID 621547) is 6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one is Cc1ccc(-c2cc(-c3ccccc3)nc(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one?
The InChIKey is VBHXTVAAZUWVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-12-7-9-14(10-8-12)16-11-15(18-17(20)19-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,20).
What are the key properties of 6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one?
6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-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 6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one is sourced from PubChem (CID 621547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).