4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one

C16H14N2O2 — CID 45066445

IUPAC4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=CC(c2ccc(O)cc2)N1
InChIInChI=1S/C16H14N2O2/c19-13-8-6-12(7-9-13)15-10-14(17-16(20)18-15)11-4-2-1-3-5-11/h1-10,15,19H,(H2,17,18,20)
InChIKeyATFGBNGFVUMEOR-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.79
Rot. Bonds2

About 4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one

4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 45066445) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID45066445
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=CC(c2ccc(O)cc2)N1
InChIInChI=1S/C16H14N2O2/c19-13-8-6-12(7-9-13)15-10-14(17-16(20)18-15)11-4-2-1-3-5-11/h1-10,15,19H,(H2,17,18,20)
InChIKeyATFGBNGFVUMEOR-UHFFFAOYSA-N
XLogP2.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate
CID 2426874
5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 159859205
4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid
CID 2763318
6-(4-chlorophenyl)-4-(1H-indol-3-yl)-3,4-dihydro-1H-pyrimidin-2-one
CID 25154762
benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
benzene;1,1'-biphenyl;phenol
CID 159528072
5-(4-phenylphenyl)imidazolidine-2,4-dione
CID 16788632
cyclohexa-2,5-diene-1,4-dione;phenol
CID 67783364
(4S)-5-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 135594475
(4R)-5-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 135594476
(4-bromophenyl)methyl 2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate
CID 5461639
(4R)-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione
CID 7261039

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 45066445) is 4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(c2ccccc2)=CC(c2ccc(O)cc2)N1.
What is the InChIKey of 4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is ATFGBNGFVUMEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-13-8-6-12(7-9-13)15-10-14(17-16(20)18-15)11-4-2-1-3-5-11/h1-10,15,19H,(H2,17,18,20).
What are the key properties of 4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 45066445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).