3-bromo-2-N-cyclobutylpyridine-2,5-diamine

C9H12BrN3 — CID 79535634

IUPAC3-bromo-2-N-cyclobutylpyridine-2,5-diamine
SMILESNc1cnc(NC2CCC2)c(Br)c1
InChIInChI=1S/C9H12BrN3/c10-8-4-6(11)5-12-9(8)13-7-2-1-3-7/h4-5,7H,1-3,11H2,(H,12,13)
InChIKeyUADHTYPKGUWMRP-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.39
Rot. Bonds2

About 3-bromo-2-N-cyclobutylpyridine-2,5-diamine

3-bromo-2-N-cyclobutylpyridine-2,5-diamine (PubChem CID 79535634) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 3-bromo-2-N-cyclobutylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-cyclobutylpyridine-2,5-diamine
PubChem CID79535634
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC Name3-bromo-2-N-cyclobutylpyridine-2,5-diamine
SMILESNc1cnc(NC2CCC2)c(Br)c1
InChIInChI=1S/C9H12BrN3/c10-8-4-6(11)5-12-9(8)13-7-2-1-3-7/h4-5,7H,1-3,11H2,(H,12,13)
InChIKeyUADHTYPKGUWMRP-UHFFFAOYSA-N
XLogP2.39
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-bromo-2-N-cyclobutylpyridine-2,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-[(5-amino-3-bromo-2-pyridinyl)amino]cyclohexan-1-ol
CID 79531530
3-bromo-2-N-(oxolan-3-yl)pyridine-2,5-diamine
CID 80716678
3-bromo-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,5-diamine
CID 79532045
3-bromo-N-cyclobutyl-5-methylpyridin-2-amine
CID 105366896
3-bromo-2-N-(2-methylcyclopropyl)pyridine-2,5-diamine
CID 79534274
N-(5-amino-3-bromo-2-pyridinyl)-2-cyclobutylacetamide
CID 103161641
5-amino-2-(cyclopentylamino)pyridine-3-carbonitrile
CID 60922873
3-bromo-N-cyclohexyl-5-nitropyridin-2-amine
CID 79535138
5-bromo-N-cyclobutyl-3-fluoropyridin-2-amine
CID 104924229
3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine
CID 79535447
3-bromo-2-N-(1-methylcyclohexyl)pyridine-2,5-diamine
CID 79534270
3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine
CID 79535173

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-cyclobutylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-cyclobutylpyridine-2,5-diamine (CID 79535634) is 3-bromo-2-N-cyclobutylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-cyclobutylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-cyclobutylpyridine-2,5-diamine is Nc1cnc(NC2CCC2)c(Br)c1.
What is the InChIKey of 3-bromo-2-N-cyclobutylpyridine-2,5-diamine?
The InChIKey is UADHTYPKGUWMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3/c10-8-4-6(11)5-12-9(8)13-7-2-1-3-7/h4-5,7H,1-3,11H2,(H,12,13).
What are the key properties of 3-bromo-2-N-cyclobutylpyridine-2,5-diamine?
3-bromo-2-N-cyclobutylpyridine-2,5-diamine has a molecular weight of 242.12 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-cyclobutylpyridine-2,5-diamine is sourced from PubChem (CID 79535634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).