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

C10H9ClN6O — CID 135463092

IUPAC2,4-diamino-5-[(4-chlorophenyl)diazenyl]-1H-pyrimidin-6-one
SMILESNc1nc(N)c(/N=N/c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C10H9ClN6O/c11-5-1-3-6(4-2-5)16-17-7-8(12)14-10(13)15-9(7)18/h1-4H,(H5,12,13,14,15,18)/b17-16+
InChIKeyLLMGLYHILGXNSE-WUKNDPDISA-N
MW264.68 g/mol
LogP2.00
Rot. Bonds2

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

2,4-diamino-5-[(4-chlorophenyl)diazenyl]-1H-pyrimidin-6-one (PubChem CID 135463092) has the molecular formula C10H9ClN6O and a molecular weight of 264.68 g/mol. Its IUPAC name is 2,4-diamino-5-[(4-chlorophenyl)diazenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-[(4-chlorophenyl)diazenyl]-1H-pyrimidin-6-one
PubChem CID135463092
Molecular FormulaC10H9ClN6O
Molecular Weight264.68 g/mol
Exact Mass264.05
IUPAC Name2,4-diamino-5-[(4-chlorophenyl)diazenyl]-1H-pyrimidin-6-one
SMILESNc1nc(N)c(/N=N/c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C10H9ClN6O/c11-5-1-3-6(4-2-5)16-17-7-8(12)14-10(13)15-9(7)18/h1-4H,(H5,12,13,14,15,18)/b17-16+
InChIKeyLLMGLYHILGXNSE-WUKNDPDISA-N
XLogP2.00
TPSA122.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 52.00
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

Guanidine, 1-(p-chlorophenyl)-3-(4-hydroxy-6-methyl-2-pyrimidinyl)-
CID 135408788
2,4-Diamino-6-hydroxy-5-phenylazopyrimidine
CID 135403411
(E)-5-(2-(2-chlorophenyl)hydrazono)-2-hydroxy-6-imino-5,6-dihydropyrimidin-4(3H)-one
CID 3650612
2-[(4-chlorophenyl)amino]-6-propylpyrimidin-4(3H)-one
CID 135472778
Pyrimidine-2,4(1H,3H)-dione, 6-[(4-chlorophenyl)azo]-
CID 388636
2-(4-chloro-anilino)-6-methyl-3H-pyrimidin-4-one
CID 135488566
2-Amino-4-(4-chloroanilino)-6-oxo-1,6-dihydro-5-pyrimidinylformamide
CID 135496583
2-amino-6-(2-chloroanilino)-1H-pyrimidin-4-one
CID 135408518
2-Hydroxy-6-imino-3,6-dihydro-4,5-pyrimidinedione 5-[(3-chlorophenyl)hydrazone]
CID 1230151
4(1H)-Pyrimidinone, 2,6-diamino-5-((2,3-dichlorophenyl)azo)-
CID 135463921
2-amino-4-(4-chloro-3-fluoro-anilino)-1H-pyrimidin-6-one
CID 135480756
N-(4-Chlorophenyl)-N'-(4-hydroxy-6-methyl-2-pyrimidinyl)guanidine
CID 135451597

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-[(4-chlorophenyl)diazenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-[(4-chlorophenyl)diazenyl]-1H-pyrimidin-6-one (CID 135463092) is 2,4-diamino-5-[(4-chlorophenyl)diazenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-[(4-chlorophenyl)diazenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-[(4-chlorophenyl)diazenyl]-1H-pyrimidin-6-one is Nc1nc(N)c(/N=N/c2ccc(Cl)cc2)c(=O)[nH]1.
What is the InChIKey of 2,4-diamino-5-[(4-chlorophenyl)diazenyl]-1H-pyrimidin-6-one?
The InChIKey is LLMGLYHILGXNSE-WUKNDPDISA-N. The full InChI is InChI=1S/C10H9ClN6O/c11-5-1-3-6(4-2-5)16-17-7-8(12)14-10(13)15-9(7)18/h1-4H,(H5,12,13,14,15,18)/b17-16+.
What are the key properties of 2,4-diamino-5-[(4-chlorophenyl)diazenyl]-1H-pyrimidin-6-one?
2,4-diamino-5-[(4-chlorophenyl)diazenyl]-1H-pyrimidin-6-one has a molecular weight of 264.68 g/mol, XLogP of 2.00, 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-chlorophenyl)diazenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135463092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).