4-amino-2-(dimethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one

C12H14N6O — CID 135422779

IUPAC4-amino-2-(dimethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESCN(C)c1nc(N)c(/N=N/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C12H14N6O/c1-18(2)12-14-10(13)9(11(19)15-12)17-16-8-6-4-3-5-7-8/h3-7H,1-2H3,(H3,13,14,15,19)/b17-16+
InChIKeyAZYCCFOENJSANG-WUKNDPDISA-N
MW258.29 g/mol
LogP1.83
Rot. Bonds3

About 4-amino-2-(dimethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one

4-amino-2-(dimethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one (PubChem CID 135422779) has the molecular formula C12H14N6O and a molecular weight of 258.29 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one
PubChem CID135422779
Molecular FormulaC12H14N6O
Molecular Weight258.29 g/mol
Exact Mass258.12
IUPAC Name4-amino-2-(dimethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESCN(C)c1nc(N)c(/N=N/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C12H14N6O/c1-18(2)12-14-10(13)9(11(19)15-12)17-16-8-6-4-3-5-7-8/h3-7H,1-2H3,(H3,13,14,15,19)/b17-16+
InChIKeyAZYCCFOENJSANG-WUKNDPDISA-N
XLogP1.83
TPSA99.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(dimethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one (CID 135422779) is 4-amino-2-(dimethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(dimethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(dimethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one is CN(C)c1nc(N)c(/N=N/c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 4-amino-2-(dimethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one?
The InChIKey is AZYCCFOENJSANG-WUKNDPDISA-N. The full InChI is InChI=1S/C12H14N6O/c1-18(2)12-14-10(13)9(11(19)15-12)17-16-8-6-4-3-5-7-8/h3-7H,1-2H3,(H3,13,14,15,19)/b17-16+.
What are the key properties of 4-amino-2-(dimethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one?
4-amino-2-(dimethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one has a molecular weight of 258.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-5-phenyldiazenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135422779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).