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

C17H14N2O2 — CID 624070

IUPAC6-(4-methoxyphenyl)-4-phenyl-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(=O)[nH]2)cc1
InChIInChI=1S/C17H14N2O2/c1-21-14-9-7-13(8-10-14)16-11-15(18-17(20)19-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)
InChIKeyCPFNIMCTTUZQGE-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.11
Rot. Bonds3

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

6-(4-methoxyphenyl)-4-phenyl-1H-pyrimidin-2-one (PubChem CID 624070) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-4-phenyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-4-phenyl-1H-pyrimidin-2-one
PubChem CID624070
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name6-(4-methoxyphenyl)-4-phenyl-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(=O)[nH]2)cc1
InChIInChI=1S/C17H14N2O2/c1-21-14-9-7-13(8-10-14)16-11-15(18-17(20)19-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)
InChIKeyCPFNIMCTTUZQGE-UHFFFAOYSA-N
XLogP3.11
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-4-phenyl-1H-pyrimidin-2-one?
The IUPAC name of 6-(4-methoxyphenyl)-4-phenyl-1H-pyrimidin-2-one (CID 624070) is 6-(4-methoxyphenyl)-4-phenyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-4-phenyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(4-methoxyphenyl)-4-phenyl-1H-pyrimidin-2-one is COc1ccc(-c2cc(-c3ccccc3)nc(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-4-phenyl-1H-pyrimidin-2-one?
The InChIKey is CPFNIMCTTUZQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-21-14-9-7-13(8-10-14)16-11-15(18-17(20)19-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20).
What are the key properties of 6-(4-methoxyphenyl)-4-phenyl-1H-pyrimidin-2-one?
6-(4-methoxyphenyl)-4-phenyl-1H-pyrimidin-2-one has a molecular weight of 278.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-4-phenyl-1H-pyrimidin-2-one is sourced from PubChem (CID 624070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).