2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine

C10H11BrN4S — CID 80837433

IUPAC2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(NCc2ccc(Br)s2)n1
InChIInChI=1S/C10H11BrN4S/c1-12-9-5-13-6-10(15-9)14-4-7-2-3-8(11)16-7/h2-3,5-6H,4H2,1H3,(H2,12,14,15)
InChIKeyGCNNTULHFRHWNL-UHFFFAOYSA-N
MW299.20 g/mol
LogP2.95
Rot. Bonds4

About 2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine

2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine (PubChem CID 80837433) has the molecular formula C10H11BrN4S and a molecular weight of 299.20 g/mol. Its IUPAC name is 2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
PubChem CID80837433
Molecular FormulaC10H11BrN4S
Molecular Weight299.20 g/mol
Exact Mass297.99
IUPAC Name2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(NCc2ccc(Br)s2)n1
InChIInChI=1S/C10H11BrN4S/c1-12-9-5-13-6-10(15-9)14-4-7-2-3-8(11)16-7/h2-3,5-6H,4H2,1H3,(H2,12,14,15)
InChIKeyGCNNTULHFRHWNL-UHFFFAOYSA-N
XLogP2.95
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[(5-ethylthiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 106015202
6-N-methyl-2-N-(thiophen-2-ylmethyl)pyrazine-2,6-diamine
CID 80771921
N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine
CID 61253580
2-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 114129233
N-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine
CID 130611411
N-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine
CID 60808995
5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]pyridine-3,4-diamine
CID 103518189
2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine
CID 78988898
2-N-[(5-bromothiophen-2-yl)methyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80836556
N-[(5-bromothiophen-2-yl)methyl]-5-iodopyrimidin-4-amine
CID 66343007
2-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 104703596
N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80911739

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine (CID 80837433) is 2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine is CNc1cncc(NCc2ccc(Br)s2)n1.
What is the InChIKey of 2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine?
The InChIKey is GCNNTULHFRHWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4S/c1-12-9-5-13-6-10(15-9)14-4-7-2-3-8(11)16-7/h2-3,5-6H,4H2,1H3,(H2,12,14,15).
What are the key properties of 2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine?
2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine has a molecular weight of 299.20 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-bromothiophen-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 80837433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).