6-bromo-N-(3-methylsulfanylcyclopentyl)imidazo[1,2-a]pyrazin-8-amine

C12H15BrN4S — CID 114123820

IUPAC6-bromo-N-(3-methylsulfanylcyclopentyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCSC1CCC(Nc2nc(Br)cn3ccnc23)C1
InChIInChI=1S/C12H15BrN4S/c1-18-9-3-2-8(6-9)15-11-12-14-4-5-17(12)7-10(13)16-11/h4-5,7-9H,2-3,6H2,1H3,(H,15,16)
InChIKeyVKFVBHUSZTWQMB-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.19
Rot. Bonds3

About 6-bromo-N-(3-methylsulfanylcyclopentyl)imidazo[1,2-a]pyrazin-8-amine

6-bromo-N-(3-methylsulfanylcyclopentyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 114123820) has the molecular formula C12H15BrN4S and a molecular weight of 327.25 g/mol. Its IUPAC name is 6-bromo-N-(3-methylsulfanylcyclopentyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-N-(3-methylsulfanylcyclopentyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID114123820
Molecular FormulaC12H15BrN4S
Molecular Weight327.25 g/mol
Exact Mass326.02
IUPAC Name6-bromo-N-(3-methylsulfanylcyclopentyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCSC1CCC(Nc2nc(Br)cn3ccnc23)C1
InChIInChI=1S/C12H15BrN4S/c1-18-9-3-2-8(6-9)15-11-12-14-4-5-17(12)7-10(13)16-11/h4-5,7-9H,2-3,6H2,1H3,(H,15,16)
InChIKeyVKFVBHUSZTWQMB-UHFFFAOYSA-N
XLogP3.19
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 79955167
6-bromo-N-(1-cyclopropylpyrrolidin-3-yl)imidazo[1,2-a]pyrazin-8-amine
CID 79947242
N-(3-methylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113245595
[2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]cyclopentyl]methanol
CID 114179118
8-N-(3,4-dimethylcyclohexyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80841243
6-bromo-N-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazin-8-amine
CID 79958300
6-bromo-N-[(2-methylcyclopentyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 107420085
6-bromo-N-(1-cyclopropylbutan-2-yl)imidazo[1,2-a]pyrazin-8-amine
CID 79947114
6-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 79954320
6-N-methyl-8-N-(3-methylcyclohexyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80784161
3-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]cyclohexan-1-ol
CID 106137338
6-hydrazinyl-N-(4-propylcyclohexyl)imidazo[1,2-a]pyrazin-8-amine
CID 80901766

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-methylsulfanylcyclopentyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-N-(3-methylsulfanylcyclopentyl)imidazo[1,2-a]pyrazin-8-amine (CID 114123820) is 6-bromo-N-(3-methylsulfanylcyclopentyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-N-(3-methylsulfanylcyclopentyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-N-(3-methylsulfanylcyclopentyl)imidazo[1,2-a]pyrazin-8-amine is CSC1CCC(Nc2nc(Br)cn3ccnc23)C1.
What is the InChIKey of 6-bromo-N-(3-methylsulfanylcyclopentyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is VKFVBHUSZTWQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4S/c1-18-9-3-2-8(6-9)15-11-12-14-4-5-17(12)7-10(13)16-11/h4-5,7-9H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 6-bromo-N-(3-methylsulfanylcyclopentyl)imidazo[1,2-a]pyrazin-8-amine?
6-bromo-N-(3-methylsulfanylcyclopentyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 327.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-methylsulfanylcyclopentyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 114123820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).