4-methyl-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one

C11H11N5O — CID 135412108

IUPAC4-methyl-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2ccccn2)n1
InChIInChI=1S/C11H11N5O/c1-8-6-10(17)15-11(14-8)16-13-7-9-4-2-3-5-12-9/h2-7H,1H3,(H2,14,15,16,17)/b13-7+
InChIKeyCSZUSPFDORDYCY-NTUHNPAUSA-N
MW229.24 g/mol
LogP0.92
Rot. Bonds3

About 4-methyl-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one

4-methyl-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 135412108) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-methyl-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one
PubChem CID135412108
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name4-methyl-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2ccccn2)n1
InChIInChI=1S/C11H11N5O/c1-8-6-10(17)15-11(14-8)16-13-7-9-4-2-3-5-12-9/h2-7H,1H3,(H2,14,15,16,17)/b13-7+
InChIKeyCSZUSPFDORDYCY-NTUHNPAUSA-N
XLogP0.92
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methyl-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one (CID 135412108) is 4-methyl-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C/c2ccccn2)n1.
What is the InChIKey of 4-methyl-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is CSZUSPFDORDYCY-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H11N5O/c1-8-6-10(17)15-11(14-8)16-13-7-9-4-2-3-5-12-9/h2-7H,1H3,(H2,14,15,16,17)/b13-7+.
What are the key properties of 4-methyl-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one?
4-methyl-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 229.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135412108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).