4-hydroxy-5-phenyldiazenyl-1H-pyrimidin-6-one

C10H8N4O2 — CID 3456081

IUPAC4-hydroxy-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1/N=N/c1ccccc1
InChIInChI=1S/C10H8N4O2/c15-9-8(10(16)12-6-11-9)14-13-7-4-2-1-3-5-7/h1-6H,(H2,11,12,15,16)/b14-13+
InChIKeyIAEMONUXDVJCEA-BUHFOSPRSA-N
MW216.20 g/mol
LogP1.89
Rot. Bonds2

About 4-hydroxy-5-phenyldiazenyl-1H-pyrimidin-6-one

4-hydroxy-5-phenyldiazenyl-1H-pyrimidin-6-one (PubChem CID 3456081) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 4-hydroxy-5-phenyldiazenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-phenyldiazenyl-1H-pyrimidin-6-one
PubChem CID3456081
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name4-hydroxy-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1/N=N/c1ccccc1
InChIInChI=1S/C10H8N4O2/c15-9-8(10(16)12-6-11-9)14-13-7-4-2-1-3-5-7/h1-6H,(H2,11,12,15,16)/b14-13+
InChIKeyIAEMONUXDVJCEA-BUHFOSPRSA-N
XLogP1.89
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-hydroxy-5-phenyldiazenyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Diamino-6-hydroxy-5-phenylazopyrimidine
CID 135403411
5-[2-(2,4-Difluorophenyl)diazenyl]-2-(methylsulfanyl)-4,6-pyrimidinediol
CID 3774798
Antineoplastic-84130
CID 135403639
N-Methyl-3-oxo-2-(phenylhydrazono)butanamide
CID 135624068
4-hydroxy-5-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrimidin-6-one
CID 177657447
2-Amino-4-hydroxy-5-phenylazo-6-chloropyrimidine
CID 135473618
5-anilino-4-hydroxy-1H-pyrimidin-6-one
CID 166448781
2-Amino-5-[2-(2,4-difluorophenyl)diazenyl]-4,6-pyrimidinediol
CID 3639746
5-(2-Fluorophenylamino)pyrimidine-4,6-diol
CID 71303466
2-amino-5,6-bis(phenyldiazenyl)-4(3H)-pyrimidinone
CID 135402330
4-hydroxy-2-methylsulfanyl-5-phenyldiazenyl-1H-pyrimidin-6-one
CID 135502917
4-amino-2-methyl-5-phenyldiazenyl-1H-pyrimidin-6-one
CID 135973213

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-phenyldiazenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-phenyldiazenyl-1H-pyrimidin-6-one (CID 3456081) is 4-hydroxy-5-phenyldiazenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-phenyldiazenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-phenyldiazenyl-1H-pyrimidin-6-one is O=c1[nH]cnc(O)c1/N=N/c1ccccc1.
What is the InChIKey of 4-hydroxy-5-phenyldiazenyl-1H-pyrimidin-6-one?
The InChIKey is IAEMONUXDVJCEA-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H8N4O2/c15-9-8(10(16)12-6-11-9)14-13-7-4-2-1-3-5-7/h1-6H,(H2,11,12,15,16)/b14-13+.
What are the key properties of 4-hydroxy-5-phenyldiazenyl-1H-pyrimidin-6-one?
4-hydroxy-5-phenyldiazenyl-1H-pyrimidin-6-one has a molecular weight of 216.20 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-phenyldiazenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 3456081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).