4-(5-methyl-2-oxopyrimidin-1-yl)butanehydrazide

C9H14N4O2 — CID 63581300

IUPAC4-(5-methyl-2-oxopyrimidin-1-yl)butanehydrazide
SMILESCc1cnc(=O)n(CCCC(=O)NN)c1
InChIInChI=1S/C9H14N4O2/c1-7-5-11-9(15)13(6-7)4-2-3-8(14)12-10/h5-6H,2-4,10H2,1H3,(H,12,14)
InChIKeyMUVIIPHRMJXWFV-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.68
Rot. Bonds4

About 4-(5-methyl-2-oxopyrimidin-1-yl)butanehydrazide

4-(5-methyl-2-oxopyrimidin-1-yl)butanehydrazide (PubChem CID 63581300) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-(5-methyl-2-oxopyrimidin-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-(5-methyl-2-oxopyrimidin-1-yl)butanehydrazide
PubChem CID63581300
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-(5-methyl-2-oxopyrimidin-1-yl)butanehydrazide
SMILESCc1cnc(=O)n(CCCC(=O)NN)c1
InChIInChI=1S/C9H14N4O2/c1-7-5-11-9(15)13(6-7)4-2-3-8(14)12-10/h5-6H,2-4,10H2,1H3,(H,12,14)
InChIKeyMUVIIPHRMJXWFV-UHFFFAOYSA-N
XLogP-0.68
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.68
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 4-(5-methyl-2-oxopyrimidin-1-yl)butanehydrazide 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-(5-methyl-2-oxopyrimidin-1-yl)butanehydrazide?
The IUPAC name of 4-(5-methyl-2-oxopyrimidin-1-yl)butanehydrazide (CID 63581300) is 4-(5-methyl-2-oxopyrimidin-1-yl)butanehydrazide.
What is the SMILES notation for 4-(5-methyl-2-oxopyrimidin-1-yl)butanehydrazide?
The canonical SMILES for 4-(5-methyl-2-oxopyrimidin-1-yl)butanehydrazide is Cc1cnc(=O)n(CCCC(=O)NN)c1.
What is the InChIKey of 4-(5-methyl-2-oxopyrimidin-1-yl)butanehydrazide?
The InChIKey is MUVIIPHRMJXWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-7-5-11-9(15)13(6-7)4-2-3-8(14)12-10/h5-6H,2-4,10H2,1H3,(H,12,14).
What are the key properties of 4-(5-methyl-2-oxopyrimidin-1-yl)butanehydrazide?
4-(5-methyl-2-oxopyrimidin-1-yl)butanehydrazide has a molecular weight of 210.24 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-oxopyrimidin-1-yl)butanehydrazide is sourced from PubChem (CID 63581300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).