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

C16H13N3O2 — CID 135460740

IUPAC2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(Nc2ccc(O)cc2)[nH]1
InChIInChI=1S/C16H13N3O2/c20-13-8-6-12(7-9-13)17-16-18-14(10-15(21)19-16)11-4-2-1-3-5-11/h1-10,20H,(H2,17,18,19,21)
InChIKeyTWQYPYDSAQSEBR-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.89
Rot. Bonds3

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

2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135460740) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one
PubChem CID135460740
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(Nc2ccc(O)cc2)[nH]1
InChIInChI=1S/C16H13N3O2/c20-13-8-6-12(7-9-13)17-16-18-14(10-15(21)19-16)11-4-2-1-3-5-11/h1-10,20H,(H2,17,18,19,21)
InChIKeyTWQYPYDSAQSEBR-UHFFFAOYSA-N
XLogP2.89
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one
CID 135421720
2-(3-bromoanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135773852
2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one
CID 135433872
2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
CID 135645510
N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide
CID 135590630
sodium 7-[4-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)amino]phenoxy]heptanoate
CID 135525368
2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 135398939
4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one
CID 136780144
2-anilino-4-(2-methoxy-4-pyridinyl)-1H-pyrimidin-6-one
CID 170655980
N-(4-hydroxyphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135552414
N-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide
CID 135436593
2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 135727215

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one (CID 135460740) is 2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one is O=c1cc(-c2ccccc2)nc(Nc2ccc(O)cc2)[nH]1.
What is the InChIKey of 2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is TWQYPYDSAQSEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-13-8-6-12(7-9-13)17-16-18-14(10-15(21)19-16)11-4-2-1-3-5-11/h1-10,20H,(H2,17,18,19,21).
What are the key properties of 2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one?
2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 279.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135460740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).