2,4-diamino-5-[(4-methylphenyl)diazenyl]-1H-pyrimidin-6-one

C11H12N6O — CID 135973220

IUPAC2,4-diamino-5-[(4-methylphenyl)diazenyl]-1H-pyrimidin-6-one
SMILESCc1ccc(/N=N/c2c(N)nc(N)[nH]c2=O)cc1
InChIInChI=1S/C11H12N6O/c1-6-2-4-7(5-3-6)16-17-8-9(12)14-11(13)15-10(8)18/h2-5H,1H3,(H5,12,13,14,15,18)/b17-16+
InChIKeyWDSUQBWBXFNVPO-WUKNDPDISA-N
MW244.26 g/mol
LogP1.66
Rot. Bonds2

About 2,4-diamino-5-[(4-methylphenyl)diazenyl]-1H-pyrimidin-6-one

2,4-diamino-5-[(4-methylphenyl)diazenyl]-1H-pyrimidin-6-one (PubChem CID 135973220) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 2,4-diamino-5-[(4-methylphenyl)diazenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-[(4-methylphenyl)diazenyl]-1H-pyrimidin-6-one
PubChem CID135973220
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name2,4-diamino-5-[(4-methylphenyl)diazenyl]-1H-pyrimidin-6-one
SMILESCc1ccc(/N=N/c2c(N)nc(N)[nH]c2=O)cc1
InChIInChI=1S/C11H12N6O/c1-6-2-4-7(5-3-6)16-17-8-9(12)14-11(13)15-10(8)18/h2-5H,1H3,(H5,12,13,14,15,18)/b17-16+
InChIKeyWDSUQBWBXFNVPO-WUKNDPDISA-N
XLogP1.66
TPSA122.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,4-diamino-5-[(4-methylphenyl)diazenyl]-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
N-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)phenyl]acetamide
CID 136245108
2-amino-4-(4-nitrophenyl)-1H-pyrimidin-6-one
CID 135454026
2-Amino-5-nitroso-6-(4-toluidino)-4-pyrimidinol
CID 135408648
N-(6-methyl-4-oxo-1,4-dihydro-2-pyrimidinyl)-N''-(3-methylphenyl)guanidine
CID 135433339
2-amino-4-(3-aminophenyl)-5-bromo-1H-pyrimidin-6-one
CID 135987595
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine
CID 135506314
1-[p-Butylphenyl]-3-[4-hydroxy-6-methyl-2-pyrimidinyl]guanidine
CID 135545709
N-(1,6-Dihydro-4-methyl-6-oxo-2-pyrimidinyl)-N'-(4-methylphenyl)guanidine
CID 135452273
6-(4-Aminophenyl)-2-methyl-3,4-dihydropyrimidin-4-one
CID 135926896
4(3H)-Pyrimidinone, 2,6-diamino-5-[2-(2,5-dimethylphenyl)diazenyl]-
CID 135488587
2-[(4-ethylphenyl)amino]-6-propyl-4(3H)-pyrimidinone
CID 135506181

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-[(4-methylphenyl)diazenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-[(4-methylphenyl)diazenyl]-1H-pyrimidin-6-one (CID 135973220) is 2,4-diamino-5-[(4-methylphenyl)diazenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-[(4-methylphenyl)diazenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-[(4-methylphenyl)diazenyl]-1H-pyrimidin-6-one is Cc1ccc(/N=N/c2c(N)nc(N)[nH]c2=O)cc1.
What is the InChIKey of 2,4-diamino-5-[(4-methylphenyl)diazenyl]-1H-pyrimidin-6-one?
The InChIKey is WDSUQBWBXFNVPO-WUKNDPDISA-N. The full InChI is InChI=1S/C11H12N6O/c1-6-2-4-7(5-3-6)16-17-8-9(12)14-11(13)15-10(8)18/h2-5H,1H3,(H5,12,13,14,15,18)/b17-16+.
What are the key properties of 2,4-diamino-5-[(4-methylphenyl)diazenyl]-1H-pyrimidin-6-one?
2,4-diamino-5-[(4-methylphenyl)diazenyl]-1H-pyrimidin-6-one has a molecular weight of 244.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-[(4-methylphenyl)diazenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135973220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).