6-bromo-2-propan-2-ylpyridine-3,4-diamine

C8H12BrN3 — CID 144632858

IUPAC6-bromo-2-propan-2-ylpyridine-3,4-diamine
SMILESCC(C)c1nc(Br)cc(N)c1N
InChIInChI=1S/C8H12BrN3/c1-4(2)8-7(11)5(10)3-6(9)12-8/h3-4H,11H2,1-2H3,(H2,10,12)
InChIKeyFSLFOJYHCNYWQD-UHFFFAOYSA-N
MW230.11 g/mol
LogP2.13
Rot. Bonds1

About 6-bromo-2-propan-2-ylpyridine-3,4-diamine

6-bromo-2-propan-2-ylpyridine-3,4-diamine (PubChem CID 144632858) has the molecular formula C8H12BrN3 and a molecular weight of 230.11 g/mol. Its IUPAC name is 6-bromo-2-propan-2-ylpyridine-3,4-diamine.

Molecular Properties

Compound Name6-bromo-2-propan-2-ylpyridine-3,4-diamine
PubChem CID144632858
Molecular FormulaC8H12BrN3
Molecular Weight230.11 g/mol
Exact Mass229.02
IUPAC Name6-bromo-2-propan-2-ylpyridine-3,4-diamine
SMILESCC(C)c1nc(Br)cc(N)c1N
InChIInChI=1S/C8H12BrN3/c1-4(2)8-7(11)5(10)3-6(9)12-8/h3-4H,11H2,1-2H3,(H2,10,12)
InChIKeyFSLFOJYHCNYWQD-UHFFFAOYSA-N
XLogP2.13
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-propan-2-ylpyridin-3-amine
CID 141017784
6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine
CID 146592357
6-bromo-4-chloro-2-(difluoromethyl)pyridin-3-amine
CID 130101605
6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine
CID 118833688
2,6-dibromo-4-methylpyridin-3-amine
CID 14418048
4-bromo-6-methyl-2-propan-2-ylpyrimidine
CID 43517260
2,4-dibromo-6-propan-2-ylpyridine
CID 66520791
5-amino-4-methyl-6-propan-2-ylpyridine-2-carbonitrile
CID 146236364
5-bromo-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 66299701
3-bromo-6-fluoro-2,4-di(propan-2-yl)pyridine;ethane
CID 142522540
3-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-5-amine
CID 83693304
2-methyl-4-propan-2-ylpyrimidin-5-amine
CID 82372486

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-propan-2-ylpyridine-3,4-diamine?
The IUPAC name of 6-bromo-2-propan-2-ylpyridine-3,4-diamine (CID 144632858) is 6-bromo-2-propan-2-ylpyridine-3,4-diamine.
What is the SMILES notation for 6-bromo-2-propan-2-ylpyridine-3,4-diamine?
The canonical SMILES for 6-bromo-2-propan-2-ylpyridine-3,4-diamine is CC(C)c1nc(Br)cc(N)c1N.
What is the InChIKey of 6-bromo-2-propan-2-ylpyridine-3,4-diamine?
The InChIKey is FSLFOJYHCNYWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3/c1-4(2)8-7(11)5(10)3-6(9)12-8/h3-4H,11H2,1-2H3,(H2,10,12).
What are the key properties of 6-bromo-2-propan-2-ylpyridine-3,4-diamine?
6-bromo-2-propan-2-ylpyridine-3,4-diamine has a molecular weight of 230.11 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-propan-2-ylpyridine-3,4-diamine is sourced from PubChem (CID 144632858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).