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

C12H14N6O — CID 135488587

IUPAC2,4-diamino-5-[(2,5-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one
SMILESCc1ccc(C)c(/N=N/c2c(N)nc(N)[nH]c2=O)c1
InChIInChI=1S/C12H14N6O/c1-6-3-4-7(2)8(5-6)17-18-9-10(13)15-12(14)16-11(9)19/h3-5H,1-2H3,(H5,13,14,15,16,19)/b18-17+
InChIKeySCKBPEYCHYMIKO-ISLYRVAYSA-N
MW258.29 g/mol
LogP1.97
Rot. Bonds2

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

2,4-diamino-5-[(2,5-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one (PubChem CID 135488587) has the molecular formula C12H14N6O and a molecular weight of 258.29 g/mol. Its IUPAC name is 2,4-diamino-5-[(2,5-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-[(2,5-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one
PubChem CID135488587
Molecular FormulaC12H14N6O
Molecular Weight258.29 g/mol
Exact Mass258.12
IUPAC Name2,4-diamino-5-[(2,5-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one
SMILESCc1ccc(C)c(/N=N/c2c(N)nc(N)[nH]c2=O)c1
InChIInChI=1S/C12H14N6O/c1-6-3-4-7(2)8(5-6)17-18-9-10(13)15-12(14)16-11(9)19/h3-5H,1-2H3,(H5,13,14,15,16,19)/b18-17+
InChIKeySCKBPEYCHYMIKO-ISLYRVAYSA-N
XLogP1.97
TPSA122.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 51.97
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'}

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Related Compounds

2,4-Diamino-6-hydroxy-5-phenylazopyrimidine
CID 135403411
2-amino-4-(2-methylanilino)-5-nitroso-1H-pyrimidin-6-one
CID 135408670
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
2,4-diamino-5-[(4-methylphenyl)diazenyl]-1H-pyrimidin-6-one
CID 135973220
2,4-diamino-5-[(2,4-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one
CID 135515796
6-(o-Methylphenylazo)-5-amino-tetrazolo[1,5-a]pyrimidin-7-ol
CID 139216004
6-(m-Methylphenylazo)-5-amino-tetrazolo[1,5-a]pyrimidin-7-ol
CID 139216008
6-(p-Methylphenylazo)-5-amino-tetrazolo[1,5-a]pyrimidin-7-ol
CID 139216010
N-(2,5-dimethylphenyl)-N'-[6-oxo-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]guanidine
CID 135893775
1-(2,5-dimethylphenyl)-2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine
CID 135951504

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-[(2,5-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-[(2,5-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one (CID 135488587) is 2,4-diamino-5-[(2,5-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-[(2,5-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-[(2,5-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one is Cc1ccc(C)c(/N=N/c2c(N)nc(N)[nH]c2=O)c1.
What is the InChIKey of 2,4-diamino-5-[(2,5-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one?
The InChIKey is SCKBPEYCHYMIKO-ISLYRVAYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-6-3-4-7(2)8(5-6)17-18-9-10(13)15-12(14)16-11(9)19/h3-5H,1-2H3,(H5,13,14,15,16,19)/b18-17+.
What are the key properties of 2,4-diamino-5-[(2,5-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one?
2,4-diamino-5-[(2,5-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one has a molecular weight of 258.29 g/mol, XLogP of 1.97, 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-[(2,5-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135488587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).