5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine

C13H16BrN3S — CID 54946602

IUPAC5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine
SMILESCC(C)N(Cc1cccs1)c1ncc(Br)cc1N
InChIInChI=1S/C13H16BrN3S/c1-9(2)17(8-11-4-3-5-18-11)13-12(15)6-10(14)7-16-13/h3-7,9H,8,15H2,1-2H3
InChIKeyLSZYXPANUFAXKR-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.90
Rot. Bonds4

About 5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine

5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine (PubChem CID 54946602) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine
PubChem CID54946602
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine
SMILESCC(C)N(Cc1cccs1)c1ncc(Br)cc1N
InChIInChI=1S/C13H16BrN3S/c1-9(2)17(8-11-4-3-5-18-11)13-12(15)6-10(14)7-16-13/h3-7,9H,8,15H2,1-2H3
InChIKeyLSZYXPANUFAXKR-UHFFFAOYSA-N
XLogP3.90
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55055076
3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 105367794
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79917686
5-amino-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide
CID 61453095
2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine
CID 54946553
5-fluoro-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808330
5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80895899
5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
CID 104533407
3,5-dichloro-6-N-propan-2-yl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 102756801
5-bromo-2-N-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80809500
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809772
3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide
CID 62684451

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine (CID 54946602) is 5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine is CC(C)N(Cc1cccs1)c1ncc(Br)cc1N.
What is the InChIKey of 5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine?
The InChIKey is LSZYXPANUFAXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-9(2)17(8-11-4-3-5-18-11)13-12(15)6-10(14)7-16-13/h3-7,9H,8,15H2,1-2H3.
What are the key properties of 5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine?
5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine has a molecular weight of 326.26 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 54946602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).