4-(4-hydroxy-3-methylphenyl)-6-phenyl-5H-pyrimidin-2-one

C17H14N2O2 — CID 135908253

IUPAC4-(4-hydroxy-3-methylphenyl)-6-phenyl-5H-pyrimidin-2-one
SMILESCc1cc(C2=NC(=O)N=C(c3ccccc3)C2)ccc1O
InChIInChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-9,20H,10H2,1H3
InChIKeyAZXKZZMGLACNIJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.50
Rot. Bonds2

About 4-(4-hydroxy-3-methylphenyl)-6-phenyl-5H-pyrimidin-2-one

4-(4-hydroxy-3-methylphenyl)-6-phenyl-5H-pyrimidin-2-one (PubChem CID 135908253) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methylphenyl)-6-phenyl-5H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-hydroxy-3-methylphenyl)-6-phenyl-5H-pyrimidin-2-one
PubChem CID135908253
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name4-(4-hydroxy-3-methylphenyl)-6-phenyl-5H-pyrimidin-2-one
SMILESCc1cc(C2=NC(=O)N=C(c3ccccc3)C2)ccc1O
InChIInChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-9,20H,10H2,1H3
InChIKeyAZXKZZMGLACNIJ-UHFFFAOYSA-N
XLogP3.50
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methylphenyl)-6-phenyl-5H-pyrimidin-2-one?
The IUPAC name of 4-(4-hydroxy-3-methylphenyl)-6-phenyl-5H-pyrimidin-2-one (CID 135908253) is 4-(4-hydroxy-3-methylphenyl)-6-phenyl-5H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-hydroxy-3-methylphenyl)-6-phenyl-5H-pyrimidin-2-one?
The canonical SMILES for 4-(4-hydroxy-3-methylphenyl)-6-phenyl-5H-pyrimidin-2-one is Cc1cc(C2=NC(=O)N=C(c3ccccc3)C2)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methylphenyl)-6-phenyl-5H-pyrimidin-2-one?
The InChIKey is AZXKZZMGLACNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-9,20H,10H2,1H3.
What are the key properties of 4-(4-hydroxy-3-methylphenyl)-6-phenyl-5H-pyrimidin-2-one?
4-(4-hydroxy-3-methylphenyl)-6-phenyl-5H-pyrimidin-2-one has a molecular weight of 278.31 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methylphenyl)-6-phenyl-5H-pyrimidin-2-one is sourced from PubChem (CID 135908253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).