3-bromo-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine

C12H14BrN3S — CID 79534922

IUPAC3-bromo-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine
SMILESCc1cc(CNc2ncc(N)cc2Br)sc1C
InChIInChI=1S/C12H14BrN3S/c1-7-3-10(17-8(7)2)6-16-12-11(13)4-9(14)5-15-12/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyHGWPJWKNZMKNSA-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.72
Rot. Bonds3

About 3-bromo-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine

3-bromo-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine (PubChem CID 79534922) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 3-bromo-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine
PubChem CID79534922
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name3-bromo-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine
SMILESCc1cc(CNc2ncc(N)cc2Br)sc1C
InChIInChI=1S/C12H14BrN3S/c1-7-3-10(17-8(7)2)6-16-12-11(13)4-9(14)5-15-12/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyHGWPJWKNZMKNSA-UHFFFAOYSA-N
XLogP3.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine
CID 106369705
5-bromo-4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 114072420
3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine
CID 79532457
5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]isoquinolin-1-amine
CID 106538906
3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrazin-2-amine
CID 65245690
3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 114835766
5-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80930673
3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine
CID 79021090
6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylpyrimidin-4-amine
CID 65245889
4-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379427
3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 79531942
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-fluoropyridin-2-amine
CID 65243439

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine (CID 79534922) is 3-bromo-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine is Cc1cc(CNc2ncc(N)cc2Br)sc1C.
What is the InChIKey of 3-bromo-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine?
The InChIKey is HGWPJWKNZMKNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-7-3-10(17-8(7)2)6-16-12-11(13)4-9(14)5-15-12/h3-5H,6,14H2,1-2H3,(H,15,16).
What are the key properties of 3-bromo-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine?
3-bromo-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine has a molecular weight of 312.24 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 79534922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).