3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine

C8H12BrN3 — CID 104506234

IUPAC3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
SMILESCCNc1ncc(N)c(C)c1Br
InChIInChI=1S/C8H12BrN3/c1-3-11-8-7(9)5(2)6(10)4-12-8/h4H,3,10H2,1-2H3,(H,11,12)
InChIKeyGNIJAJFBCPTOKB-UHFFFAOYSA-N
MW230.11 g/mol
LogP2.17
Rot. Bonds2

About 3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine

3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine (PubChem CID 104506234) has the molecular formula C8H12BrN3 and a molecular weight of 230.11 g/mol. Its IUPAC name is 3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
PubChem CID104506234
Molecular FormulaC8H12BrN3
Molecular Weight230.11 g/mol
Exact Mass229.02
IUPAC Name3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
SMILESCCNc1ncc(N)c(C)c1Br
InChIInChI=1S/C8H12BrN3/c1-3-11-8-7(9)5(2)6(10)4-12-8/h4H,3,10H2,1-2H3,(H,11,12)
InChIKeyGNIJAJFBCPTOKB-UHFFFAOYSA-N
XLogP2.17
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
CID 104506284
3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine
CID 113420419
3-bromo-2-N-[(4-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
CID 113420383
3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
CID 104506832
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol
CID 104507039
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide
CID 113420397
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide
CID 104506470
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 104506915
3-bromo-4-methyl-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,5-diamine
CID 104506499
3-bromo-2-N-[(2-bromophenyl)methyl]-4-methylpyridine-2,5-diamine
CID 104506507
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106166830
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106244071

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine (CID 104506234) is 3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine is CCNc1ncc(N)c(C)c1Br.
What is the InChIKey of 3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine?
The InChIKey is GNIJAJFBCPTOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3/c1-3-11-8-7(9)5(2)6(10)4-12-8/h4H,3,10H2,1-2H3,(H,11,12).
What are the key properties of 3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine?
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine has a molecular weight of 230.11 g/mol, XLogP of 2.17, 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-ethyl-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 104506234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).