3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine

C13H16BrN3S — CID 104506605

IUPAC3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(N(C)C(C)c2cccs2)c1Br
InChIInChI=1S/C13H16BrN3S/c1-8-10(15)7-16-13(12(8)14)17(3)9(2)11-5-4-6-18-11/h4-7,9H,15H2,1-3H3
InChIKeyAKAYCFGUCRCJSN-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.99
Rot. Bonds3

About 3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine

3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine (PubChem CID 104506605) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine
PubChem CID104506605
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(N(C)C(C)c2cccs2)c1Br
InChIInChI=1S/C13H16BrN3S/c1-8-10(15)7-16-13(12(8)14)17(3)9(2)11-5-4-6-18-11/h4-7,9H,15H2,1-3H3
InChIKeyAKAYCFGUCRCJSN-UHFFFAOYSA-N
XLogP3.99
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
CID 81439113
4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 80804482
4-N,5-dimethyl-2-propan-2-yl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80987613
2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79072473
2-hydrazinyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80904270
3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 104506452
3-[(1R)-1-aminoethyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 114055989
2-N,6-dimethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 112746053
4-fluoro-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 54980798
2-chloro-5-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79081658
6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80972540
2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
CID 114194969

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine (CID 104506605) is 3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine is Cc1c(N)cnc(N(C)C(C)c2cccs2)c1Br.
What is the InChIKey of 3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine?
The InChIKey is AKAYCFGUCRCJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-8-10(15)7-16-13(12(8)14)17(3)9(2)11-5-4-6-18-11/h4-7,9H,15H2,1-3H3.
What are the key properties of 3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine?
3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine has a molecular weight of 326.26 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N,4-dimethyl-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine is sourced from PubChem (CID 104506605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).