2-anilino-6-hydroxy-3-phenylpyrimidin-4-one

C16H13N3O2 — CID 142771606

IUPAC2-anilino-6-hydroxy-3-phenylpyrimidin-4-one
SMILESO=c1cc(O)nc(Nc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C16H13N3O2/c20-14-11-15(21)19(13-9-5-2-6-10-13)16(18-14)17-12-7-3-1-4-8-12/h1-11,20H,(H,17,18)
InChIKeyZKGQVLLSBAOHQI-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.68
Rot. Bonds3

About 2-anilino-6-hydroxy-3-phenylpyrimidin-4-one

2-anilino-6-hydroxy-3-phenylpyrimidin-4-one (PubChem CID 142771606) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-anilino-6-hydroxy-3-phenylpyrimidin-4-one.

Molecular Properties

Compound Name2-anilino-6-hydroxy-3-phenylpyrimidin-4-one
PubChem CID142771606
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-anilino-6-hydroxy-3-phenylpyrimidin-4-one
SMILESO=c1cc(O)nc(Nc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C16H13N3O2/c20-14-11-15(21)19(13-9-5-2-6-10-13)16(18-14)17-12-7-3-1-4-8-12/h1-11,20H,(H,17,18)
InChIKeyZKGQVLLSBAOHQI-UHFFFAOYSA-N
XLogP2.68
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Methylanilino)-4-pyrimidinol
CID 824717
N-(1,6-Dihydro-4-methyl-6-oxo-2-pyrimidinyl)-N'-phenylguanidine
CID 135495567
2-N-Anilino-4-hydroxy-6-methylpyrimidine
CID 135416215
6-Amino-1-phenyl-1H-pyrimidine-2,4-dione
CID 702878
6-Methyl-1-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 608692
6-(Diphenylamino)-1,3,5-triazine-2,4-diol
CID 790157
6-hydroxy-2-imino-1,3-diphenyl-2,3-dihydropyrimidin-4(1H)-one
CID 910704
2-(3-fluoroanilino)-6-methyl-1H-pyrimidin-4-one
CID 135459606
2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 4664169
6-Anilinouracil
CID 309801
2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one
CID 135567364
2-Phenylamino-6-trifluoromethyl-pyrimidin-4-ol
CID 135727209

Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-hydroxy-3-phenylpyrimidin-4-one?
The IUPAC name of 2-anilino-6-hydroxy-3-phenylpyrimidin-4-one (CID 142771606) is 2-anilino-6-hydroxy-3-phenylpyrimidin-4-one.
What is the SMILES notation for 2-anilino-6-hydroxy-3-phenylpyrimidin-4-one?
The canonical SMILES for 2-anilino-6-hydroxy-3-phenylpyrimidin-4-one is O=c1cc(O)nc(Nc2ccccc2)n1-c1ccccc1.
What is the InChIKey of 2-anilino-6-hydroxy-3-phenylpyrimidin-4-one?
The InChIKey is ZKGQVLLSBAOHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-14-11-15(21)19(13-9-5-2-6-10-13)16(18-14)17-12-7-3-1-4-8-12/h1-11,20H,(H,17,18).
What are the key properties of 2-anilino-6-hydroxy-3-phenylpyrimidin-4-one?
2-anilino-6-hydroxy-3-phenylpyrimidin-4-one has a molecular weight of 279.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-hydroxy-3-phenylpyrimidin-4-one is sourced from PubChem (CID 142771606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).