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

C11H11N5O — CID 135973213

IUPAC4-amino-2-methyl-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(/N=N/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H11N5O/c1-7-13-10(12)9(11(17)14-7)16-15-8-5-3-2-4-6-8/h2-6H,1H3,(H3,12,13,14,17)/b16-15+
InChIKeyQVDCYKGJKHIOCH-FOCLMDBBSA-N
MW229.24 g/mol
LogP2.08
Rot. Bonds2

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

4-amino-2-methyl-5-phenyldiazenyl-1H-pyrimidin-6-one (PubChem CID 135973213) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-amino-2-methyl-5-phenyldiazenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-methyl-5-phenyldiazenyl-1H-pyrimidin-6-one
PubChem CID135973213
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name4-amino-2-methyl-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(/N=N/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H11N5O/c1-7-13-10(12)9(11(17)14-7)16-15-8-5-3-2-4-6-8/h2-6H,1H3,(H3,12,13,14,17)/b16-15+
InChIKeyQVDCYKGJKHIOCH-FOCLMDBBSA-N
XLogP2.08
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-5-phenyldiazenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-methyl-5-phenyldiazenyl-1H-pyrimidin-6-one (CID 135973213) is 4-amino-2-methyl-5-phenyldiazenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-methyl-5-phenyldiazenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-methyl-5-phenyldiazenyl-1H-pyrimidin-6-one is Cc1nc(N)c(/N=N/c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 4-amino-2-methyl-5-phenyldiazenyl-1H-pyrimidin-6-one?
The InChIKey is QVDCYKGJKHIOCH-FOCLMDBBSA-N. The full InChI is InChI=1S/C11H11N5O/c1-7-13-10(12)9(11(17)14-7)16-15-8-5-3-2-4-6-8/h2-6H,1H3,(H3,12,13,14,17)/b16-15+.
What are the key properties of 4-amino-2-methyl-5-phenyldiazenyl-1H-pyrimidin-6-one?
4-amino-2-methyl-5-phenyldiazenyl-1H-pyrimidin-6-one has a molecular weight of 229.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-5-phenyldiazenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135973213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).