3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylsulfanylbutan-1-ol

C11H15BrN4OS — CID 114152179

IUPAC3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1nc(Br)cn2ccnc12
InChIInChI=1S/C11H15BrN4OS/c1-7(8(6-17)18-2)14-10-11-13-3-4-16(11)5-9(12)15-10/h3-5,7-8,17H,6H2,1-2H3,(H,14,15)
InChIKeySPYTUDBDSWVFQJ-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.02
Rot. Bonds5

About 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylsulfanylbutan-1-ol

3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylsulfanylbutan-1-ol (PubChem CID 114152179) has the molecular formula C11H15BrN4OS and a molecular weight of 331.24 g/mol. Its IUPAC name is 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylsulfanylbutan-1-ol
PubChem CID114152179
Molecular FormulaC11H15BrN4OS
Molecular Weight331.24 g/mol
Exact Mass330.01
IUPAC Name3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1nc(Br)cn2ccnc12
InChIInChI=1S/C11H15BrN4OS/c1-7(8(6-17)18-2)14-10-11-13-3-4-16(11)5-9(12)15-10/h3-5,7-8,17H,6H2,1-2H3,(H,14,15)
InChIKeySPYTUDBDSWVFQJ-UHFFFAOYSA-N
XLogP2.02
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylsulfanylbutan-1-ol (CID 114152179) is 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)Nc1nc(Br)cn2ccnc12.
What is the InChIKey of 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is SPYTUDBDSWVFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4OS/c1-7(8(6-17)18-2)14-10-11-13-3-4-16(11)5-9(12)15-10/h3-5,7-8,17H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylsulfanylbutan-1-ol?
3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 331.24 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 114152179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).