2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide

C7H9BrN4O2 — CID 66310270

IUPAC2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide
SMILESCc1ncn(CC(=O)NN)c(=O)c1Br
InChIInChI=1S/C7H9BrN4O2/c1-4-6(8)7(14)12(3-10-4)2-5(13)11-9/h3H,2,9H2,1H3,(H,11,13)
InChIKeyPNAIAXBGHRQYEY-UHFFFAOYSA-N
MW261.08 g/mol
LogP-0.70
Rot. Bonds2

About 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide

2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide (PubChem CID 66310270) has the molecular formula C7H9BrN4O2 and a molecular weight of 261.08 g/mol. Its IUPAC name is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide
PubChem CID66310270
Molecular FormulaC7H9BrN4O2
Molecular Weight261.08 g/mol
Exact Mass259.99
IUPAC Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide
SMILESCc1ncn(CC(=O)NN)c(=O)c1Br
InChIInChI=1S/C7H9BrN4O2/c1-4-6(8)7(14)12(3-10-4)2-5(13)11-9/h3H,2,9H2,1H3,(H,11,13)
InChIKeyPNAIAXBGHRQYEY-UHFFFAOYSA-N
XLogP-0.70
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide 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 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide?
The IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide (CID 66310270) is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide.
What is the SMILES notation for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide?
The canonical SMILES for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide is Cc1ncn(CC(=O)NN)c(=O)c1Br.
What is the InChIKey of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide?
The InChIKey is PNAIAXBGHRQYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN4O2/c1-4-6(8)7(14)12(3-10-4)2-5(13)11-9/h3H,2,9H2,1H3,(H,11,13).
What are the key properties of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide?
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide has a molecular weight of 261.08 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide is sourced from PubChem (CID 66310270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).