3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine

C13H16BrN3S — CID 80525947

IUPAC3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine
SMILESCC(C)(CNc1ncc(N)cc1Br)c1cccs1
InChIInChI=1S/C13H16BrN3S/c1-13(2,11-4-3-5-18-11)8-17-12-10(14)6-9(15)7-16-12/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyHFLOGJBIBICGNP-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.88
Rot. Bonds4

About 3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine

3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine (PubChem CID 80525947) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine
PubChem CID80525947
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine
SMILESCC(C)(CNc1ncc(N)cc1Br)c1cccs1
InChIInChI=1S/C13H16BrN3S/c1-13(2,11-4-3-5-18-11)8-17-12-10(14)6-9(15)7-16-12/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyHFLOGJBIBICGNP-UHFFFAOYSA-N
XLogP3.88
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine
CID 79532457
5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80851975
5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 80525997
5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)isoquinolin-1-amine
CID 106539136
6-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-4,5-diamine
CID 80527084
5-amino-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 80526889
5-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxylic acid
CID 80528307
3-bromo-2-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2,5-diamine
CID 79531860
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 80528214
4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106140711
5-bromo-4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1H-pyrimidin-6-one
CID 136976455
4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80851821

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine (CID 80525947) is 3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine is CC(C)(CNc1ncc(N)cc1Br)c1cccs1.
What is the InChIKey of 3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine?
The InChIKey is HFLOGJBIBICGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-13(2,11-4-3-5-18-11)8-17-12-10(14)6-9(15)7-16-12/h3-7H,8,15H2,1-2H3,(H,16,17).
What are the key properties of 3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine?
3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine has a molecular weight of 326.26 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine is sourced from PubChem (CID 80525947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).