2-N-[(3-bromothiophen-2-yl)methyl]pyrazine-2,5-diamine

C9H9BrN4S — CID 80652753

IUPAC2-N-[(3-bromothiophen-2-yl)methyl]pyrazine-2,5-diamine
SMILESNc1cnc(NCc2sccc2Br)cn1
InChIInChI=1S/C9H9BrN4S/c10-6-1-2-15-7(6)3-13-9-5-12-8(11)4-14-9/h1-2,4-5H,3H2,(H2,11,12)(H,13,14)
InChIKeyFAFLBQUSNAIJMO-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.49
Rot. Bonds3

About 2-N-[(3-bromothiophen-2-yl)methyl]pyrazine-2,5-diamine

2-N-[(3-bromothiophen-2-yl)methyl]pyrazine-2,5-diamine (PubChem CID 80652753) has the molecular formula C9H9BrN4S and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-N-[(3-bromothiophen-2-yl)methyl]pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(3-bromothiophen-2-yl)methyl]pyrazine-2,5-diamine
PubChem CID80652753
Molecular FormulaC9H9BrN4S
Molecular Weight285.17 g/mol
Exact Mass283.97
IUPAC Name2-N-[(3-bromothiophen-2-yl)methyl]pyrazine-2,5-diamine
SMILESNc1cnc(NCc2sccc2Br)cn1
InChIInChI=1S/C9H9BrN4S/c10-6-1-2-15-7(6)3-13-9-5-12-8(11)4-14-9/h1-2,4-5H,3H2,(H2,11,12)(H,13,14)
InChIKeyFAFLBQUSNAIJMO-UHFFFAOYSA-N
XLogP2.49
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine
CID 80652752
5-bromo-N-[(3-bromothiophen-2-yl)methyl]pyridin-2-amine
CID 78999146
N-[(3-bromothiophen-2-yl)methyl]-5-chloropyridin-2-amine
CID 79035166
N-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114476013
4-N-[(3-bromothiophen-2-yl)methyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80852044
4-[(3-bromothiophen-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136976446
5-amino-6-[(3-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile
CID 103468821
5-[(3-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 113320993
2-N-[(3-bromothiophen-2-yl)methyl]-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 112746298
N-[(3-bromothiophen-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 115380154
4-N-[(3-bromothiophen-2-yl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80851890
N-[(3-bromothiophen-2-yl)methyl]-6-nitropyridin-3-amine
CID 78992969

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-bromothiophen-2-yl)methyl]pyrazine-2,5-diamine?
The IUPAC name of 2-N-[(3-bromothiophen-2-yl)methyl]pyrazine-2,5-diamine (CID 80652753) is 2-N-[(3-bromothiophen-2-yl)methyl]pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-[(3-bromothiophen-2-yl)methyl]pyrazine-2,5-diamine?
The canonical SMILES for 2-N-[(3-bromothiophen-2-yl)methyl]pyrazine-2,5-diamine is Nc1cnc(NCc2sccc2Br)cn1.
What is the InChIKey of 2-N-[(3-bromothiophen-2-yl)methyl]pyrazine-2,5-diamine?
The InChIKey is FAFLBQUSNAIJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4S/c10-6-1-2-15-7(6)3-13-9-5-12-8(11)4-14-9/h1-2,4-5H,3H2,(H2,11,12)(H,13,14).
What are the key properties of 2-N-[(3-bromothiophen-2-yl)methyl]pyrazine-2,5-diamine?
2-N-[(3-bromothiophen-2-yl)methyl]pyrazine-2,5-diamine has a molecular weight of 285.17 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-bromothiophen-2-yl)methyl]pyrazine-2,5-diamine is sourced from PubChem (CID 80652753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).