2-amino-4-chloro-5-phenyldiazenyl-1H-pyrimidin-6-one

C10H8ClN5O — CID 135473618

IUPAC2-amino-4-chloro-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESNc1nc(Cl)c(/N=N/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H8ClN5O/c11-8-7(9(17)14-10(12)13-8)16-15-6-4-2-1-3-5-6/h1-5H,(H3,12,13,14,17)/b16-15+
InChIKeyKQEFVDTYQOKIKO-FOCLMDBBSA-N
MW249.66 g/mol
LogP2.42
Rot. Bonds2

About 2-amino-4-chloro-5-phenyldiazenyl-1H-pyrimidin-6-one

2-amino-4-chloro-5-phenyldiazenyl-1H-pyrimidin-6-one (PubChem CID 135473618) has the molecular formula C10H8ClN5O and a molecular weight of 249.66 g/mol. Its IUPAC name is 2-amino-4-chloro-5-phenyldiazenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-chloro-5-phenyldiazenyl-1H-pyrimidin-6-one
PubChem CID135473618
Molecular FormulaC10H8ClN5O
Molecular Weight249.66 g/mol
Exact Mass249.04
IUPAC Name2-amino-4-chloro-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESNc1nc(Cl)c(/N=N/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H8ClN5O/c11-8-7(9(17)14-10(12)13-8)16-15-6-4-2-1-3-5-6/h1-5H,(H3,12,13,14,17)/b16-15+
InChIKeyKQEFVDTYQOKIKO-FOCLMDBBSA-N
XLogP2.42
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 52.42
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'}

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Related Compounds

2,4-Diamino-6-hydroxy-5-phenylazopyrimidine
CID 135403411
2,6-Diamino-5-[2-(4-chlorophenyl)diazenyl]-4-pyrimidinol
CID 135463092
5-(2-Phenyldiazenyl)-4,6-pyrimidinediol
CID 3456081
Antineoplastic-84130
CID 135403639
2-Amino-6-hydroxy-5-(phenyldiazenyl)-4-pyrimidinecarboxylic acid
CID 135403645
4(1H)-Pyrimidinone, 2,6-diamino-5-((2,3-dichlorophenyl)azo)-
CID 135463921
2,4-diamino-5-[(3-nitrophenyl)diazenyl]-1H-pyrimidin-6-one
CID 135517727
2,4-diamino-5-[(2,4-dichlorophenyl)diazenyl]-1H-pyrimidin-6-one
CID 135545630
N-(N'-phenylcarbamimidoyl)acetamide
CID 136448051
4,5-diamino-2-anilino-1H-pyrimidin-6-one
CID 135850744
2,4-diamino-5-[(4-methylphenyl)diazenyl]-1H-pyrimidin-6-one
CID 135973220
5-Phenylazo-6-aminouracil
CID 136317028

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-5-phenyldiazenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-chloro-5-phenyldiazenyl-1H-pyrimidin-6-one (CID 135473618) is 2-amino-4-chloro-5-phenyldiazenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-chloro-5-phenyldiazenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-chloro-5-phenyldiazenyl-1H-pyrimidin-6-one is Nc1nc(Cl)c(/N=N/c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-amino-4-chloro-5-phenyldiazenyl-1H-pyrimidin-6-one?
The InChIKey is KQEFVDTYQOKIKO-FOCLMDBBSA-N. The full InChI is InChI=1S/C10H8ClN5O/c11-8-7(9(17)14-10(12)13-8)16-15-6-4-2-1-3-5-6/h1-5H,(H3,12,13,14,17)/b16-15+.
What are the key properties of 2-amino-4-chloro-5-phenyldiazenyl-1H-pyrimidin-6-one?
2-amino-4-chloro-5-phenyldiazenyl-1H-pyrimidin-6-one has a molecular weight of 249.66 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-5-phenyldiazenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135473618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).