3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine

C13H20BrN3 — CID 104506635

IUPAC3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine
SMILESCc1c(N)cnc(N(CC2CC2)C(C)C)c1Br
InChIInChI=1S/C13H20BrN3/c1-8(2)17(7-10-4-5-10)13-12(14)9(3)11(15)6-16-13/h6,8,10H,4-5,7,15H2,1-3H3
InChIKeyGVZGEMNDRRLXGY-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.36
Rot. Bonds4

About 3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine

3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine (PubChem CID 104506635) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine
PubChem CID104506635
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine
SMILESCc1c(N)cnc(N(CC2CC2)C(C)C)c1Br
InChIInChI=1S/C13H20BrN3/c1-8(2)17(7-10-4-5-10)13-12(14)9(3)11(15)6-16-13/h6,8,10H,4-5,7,15H2,1-3H3
InChIKeyGVZGEMNDRRLXGY-UHFFFAOYSA-N
XLogP3.36
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-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

2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine
CID 66280411
5-bromo-4-N-(cyclopropylmethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80820735
3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 104506452
5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine
CID 103583262
5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
CID 107081997
5-amino-6-[cyclopropylmethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 81439216
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 105367387
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
CID 104506975
4-N-(cyclopropylmethyl)-5-methyl-4-N,2-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80982410
6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylpyrimidin-4-amine
CID 63730353
5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
CID 80630227
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine
CID 104506859

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine (CID 104506635) is 3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine is Cc1c(N)cnc(N(CC2CC2)C(C)C)c1Br.
What is the InChIKey of 3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine?
The InChIKey is GVZGEMNDRRLXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-8(2)17(7-10-4-5-10)13-12(14)9(3)11(15)6-16-13/h6,8,10H,4-5,7,15H2,1-3H3.
What are the key properties of 3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine?
3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine has a molecular weight of 298.23 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine is sourced from PubChem (CID 104506635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).