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

C13H15ClN6O — CID 135973224

IUPAC2,4-diamino-5-[(4-chloro-5-ethyl-2-methylphenyl)diazenyl]-1H-pyrimidin-6-one
SMILESCCc1cc(/N=N/c2c(N)nc(N)[nH]c2=O)c(C)cc1Cl
InChIInChI=1S/C13H15ClN6O/c1-3-7-5-9(6(2)4-8(7)14)19-20-10-11(15)17-13(16)18-12(10)21/h4-5H,3H2,1-2H3,(H5,15,16,17,18,21)/b20-19+
InChIKeyRHHKIPUIGXSREM-FMQUCBEESA-N
MW306.76 g/mol
LogP2.87
Rot. Bonds3

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

2,4-diamino-5-[(4-chloro-5-ethyl-2-methylphenyl)diazenyl]-1H-pyrimidin-6-one (PubChem CID 135973224) has the molecular formula C13H15ClN6O and a molecular weight of 306.76 g/mol. Its IUPAC name is 2,4-diamino-5-[(4-chloro-5-ethyl-2-methylphenyl)diazenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-[(4-chloro-5-ethyl-2-methylphenyl)diazenyl]-1H-pyrimidin-6-one
PubChem CID135973224
Molecular FormulaC13H15ClN6O
Molecular Weight306.76 g/mol
Exact Mass306.10
IUPAC Name2,4-diamino-5-[(4-chloro-5-ethyl-2-methylphenyl)diazenyl]-1H-pyrimidin-6-one
SMILESCCc1cc(/N=N/c2c(N)nc(N)[nH]c2=O)c(C)cc1Cl
InChIInChI=1S/C13H15ClN6O/c1-3-7-5-9(6(2)4-8(7)14)19-20-10-11(15)17-13(16)18-12(10)21/h4-5H,3H2,1-2H3,(H5,15,16,17,18,21)/b20-19+
InChIKeyRHHKIPUIGXSREM-FMQUCBEESA-N
XLogP2.87
TPSA122.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 52.87
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-5-[(2,4-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one
CID 135515796
2,4-diamino-5-(ethylideneamino)-1H-pyrimidin-6-one
CID 154521709
2-amino-5-ethyl-7-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136728596
2,4-diamino-5-[[5-[methyl(sulfanylmethyl)amino]-1,3,4-thiadiazol-2-yl]diazenyl]-1H-pyrimidin-6-one
CID 136614384
4-[(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]benzenesulfonic acid
CID 135508279
2,4-diamino-5-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrimidin-6-one
CID 135453972
2,4-diamino-5-[(4-chlorothiophen-3-yl)methyl]-1H-pyrimidin-6-one
CID 154008703
3-[(4-chlorophenyl)diazenyl]-4-ethylpyridine-2,6-diamine
CID 126679434
2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one
CID 135905258
2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135438441
2,4-diamino-5-[[4-(dimethylamino)phenyl]methylideneamino]-1H-pyrimidin-6-one
CID 137048022
2-amino-5-[[1-(4-chlorophenyl)-7-hydroxyheptylidene]amino]-4-methyl-1H-pyrimidin-6-one
CID 137300973

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-[(4-chloro-5-ethyl-2-methylphenyl)diazenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-[(4-chloro-5-ethyl-2-methylphenyl)diazenyl]-1H-pyrimidin-6-one (CID 135973224) is 2,4-diamino-5-[(4-chloro-5-ethyl-2-methylphenyl)diazenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-[(4-chloro-5-ethyl-2-methylphenyl)diazenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-[(4-chloro-5-ethyl-2-methylphenyl)diazenyl]-1H-pyrimidin-6-one is CCc1cc(/N=N/c2c(N)nc(N)[nH]c2=O)c(C)cc1Cl.
What is the InChIKey of 2,4-diamino-5-[(4-chloro-5-ethyl-2-methylphenyl)diazenyl]-1H-pyrimidin-6-one?
The InChIKey is RHHKIPUIGXSREM-FMQUCBEESA-N. The full InChI is InChI=1S/C13H15ClN6O/c1-3-7-5-9(6(2)4-8(7)14)19-20-10-11(15)17-13(16)18-12(10)21/h4-5H,3H2,1-2H3,(H5,15,16,17,18,21)/b20-19+.
What are the key properties of 2,4-diamino-5-[(4-chloro-5-ethyl-2-methylphenyl)diazenyl]-1H-pyrimidin-6-one?
2,4-diamino-5-[(4-chloro-5-ethyl-2-methylphenyl)diazenyl]-1H-pyrimidin-6-one has a molecular weight of 306.76 g/mol, XLogP of 2.87, 3 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-chloro-5-ethyl-2-methylphenyl)diazenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135973224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).