6-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide

C11H17BrN4O2 — CID 66310054

IUPAC6-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide
SMILESCc1ncn(CCCCCC(=O)NN)c(=O)c1Br
InChIInChI=1S/C11H17BrN4O2/c1-8-10(12)11(18)16(7-14-8)6-4-2-3-5-9(17)15-13/h7H,2-6,13H2,1H3,(H,15,17)
InChIKeyKDTJZRIWLVMJEC-UHFFFAOYSA-N
MW317.19 g/mol
LogP0.86
Rot. Bonds6

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

6-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide (PubChem CID 66310054) has the molecular formula C11H17BrN4O2 and a molecular weight of 317.19 g/mol. Its IUPAC name is 6-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide.

Molecular Properties

Compound Name6-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide
PubChem CID66310054
Molecular FormulaC11H17BrN4O2
Molecular Weight317.19 g/mol
Exact Mass316.05
IUPAC Name6-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide
SMILESCc1ncn(CCCCCC(=O)NN)c(=O)c1Br
InChIInChI=1S/C11H17BrN4O2/c1-8-10(12)11(18)16(7-14-8)6-4-2-3-5-9(17)15-13/h7H,2-6,13H2,1H3,(H,15,17)
InChIKeyKDTJZRIWLVMJEC-UHFFFAOYSA-N
XLogP0.86
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide 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 6-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide?
The IUPAC name of 6-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide (CID 66310054) is 6-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide.
What is the SMILES notation for 6-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide?
The canonical SMILES for 6-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide is Cc1ncn(CCCCCC(=O)NN)c(=O)c1Br.
What is the InChIKey of 6-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide?
The InChIKey is KDTJZRIWLVMJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2/c1-8-10(12)11(18)16(7-14-8)6-4-2-3-5-9(17)15-13/h7H,2-6,13H2,1H3,(H,15,17).
What are the key properties of 6-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide?
6-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide has a molecular weight of 317.19 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide is sourced from PubChem (CID 66310054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).