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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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).