N-cyclohexyl-3-(2-methylsulfinylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine

C17H20N6OS — CID 123860861

IUPACN-cyclohexyl-3-(2-methylsulfinylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCS(=O)c1nccc(-c2cnc3c(NC4CCCCC4)nccn23)n1
InChIInChI=1S/C17H20N6OS/c1-25(24)17-19-8-7-13(22-17)14-11-20-16-15(18-9-10-23(14)16)21-12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,18,21)
InChIKeyDRRKPLFXQGSVBL-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.67
Rot. Bonds4

About N-cyclohexyl-3-(2-methylsulfinylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine

N-cyclohexyl-3-(2-methylsulfinylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 123860861) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is N-cyclohexyl-3-(2-methylsulfinylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-(2-methylsulfinylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID123860861
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC NameN-cyclohexyl-3-(2-methylsulfinylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCS(=O)c1nccc(-c2cnc3c(NC4CCCCC4)nccn23)n1
InChIInChI=1S/C17H20N6OS/c1-25(24)17-19-8-7-13(22-17)14-11-20-16-15(18-9-10-23(14)16)21-12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,18,21)
InChIKeyDRRKPLFXQGSVBL-UHFFFAOYSA-N
XLogP2.67
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2-methylsulfinylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-cyclohexyl-3-(2-methylsulfinylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine (CID 123860861) is N-cyclohexyl-3-(2-methylsulfinylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-cyclohexyl-3-(2-methylsulfinylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-cyclohexyl-3-(2-methylsulfinylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine is CS(=O)c1nccc(-c2cnc3c(NC4CCCCC4)nccn23)n1.
What is the InChIKey of N-cyclohexyl-3-(2-methylsulfinylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is DRRKPLFXQGSVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-25(24)17-19-8-7-13(22-17)14-11-20-16-15(18-9-10-23(14)16)21-12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,18,21).
What are the key properties of N-cyclohexyl-3-(2-methylsulfinylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine?
N-cyclohexyl-3-(2-methylsulfinylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 356.46 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2-methylsulfinylpyrimidin-4-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 123860861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).