4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanehydrazide

C10H16N4O2 — CID 63794390

IUPAC4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanehydrazide
SMILESCc1cc(=O)n(CCCC(=O)NN)c(C)n1
InChIInChI=1S/C10H16N4O2/c1-7-6-10(16)14(8(2)12-7)5-3-4-9(15)13-11/h6H,3-5,11H2,1-2H3,(H,13,15)
InChIKeyVYBXAUXNRYLAHM-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.37
Rot. Bonds4

About 4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanehydrazide

4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanehydrazide (PubChem CID 63794390) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanehydrazide.

Molecular Properties

Compound Name4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanehydrazide
PubChem CID63794390
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanehydrazide
SMILESCc1cc(=O)n(CCCC(=O)NN)c(C)n1
InChIInChI=1S/C10H16N4O2/c1-7-6-10(16)14(8(2)12-7)5-3-4-9(15)13-11/h6H,3-5,11H2,1-2H3,(H,13,15)
InChIKeyVYBXAUXNRYLAHM-UHFFFAOYSA-N
XLogP-0.37
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.37
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-(2,4-dimethyl-6-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-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanehydrazide?
The IUPAC name of 4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanehydrazide (CID 63794390) is 4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanehydrazide.
What is the SMILES notation for 4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanehydrazide?
The canonical SMILES for 4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanehydrazide is Cc1cc(=O)n(CCCC(=O)NN)c(C)n1.
What is the InChIKey of 4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanehydrazide?
The InChIKey is VYBXAUXNRYLAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-6-10(16)14(8(2)12-7)5-3-4-9(15)13-11/h6H,3-5,11H2,1-2H3,(H,13,15).
What are the key properties of 4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanehydrazide?
4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanehydrazide has a molecular weight of 224.26 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanehydrazide is sourced from PubChem (CID 63794390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).