N-(2-methylsulfonylethyl)-3-[2-(oxan-4-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-amine

C18H23N7O3S — CID 66548082

IUPACN-(2-methylsulfonylethyl)-3-[2-(oxan-4-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-amine
SMILESCS(=O)(=O)CCNc1nccn2c(-c3ccnc(NC4CCOCC4)n3)cnc12
InChIInChI=1S/C18H23N7O3S/c1-29(26,27)11-7-20-16-17-22-12-15(25(17)8-6-19-16)14-2-5-21-18(24-14)23-13-3-9-28-10-4-13/h2,5-6,8,12-13H,3-4,7,9-11H2,1H3,(H,19,20)(H,21,23,24)
InChIKeySULSZYAAVLSRPK-UHFFFAOYSA-N
MW417.50 g/mol
LogP1.23
Rot. Bonds7

About N-(2-methylsulfonylethyl)-3-[2-(oxan-4-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-amine

N-(2-methylsulfonylethyl)-3-[2-(oxan-4-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 66548082) has the molecular formula C18H23N7O3S and a molecular weight of 417.50 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-3-[2-(oxan-4-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-3-[2-(oxan-4-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID66548082
Molecular FormulaC18H23N7O3S
Molecular Weight417.50 g/mol
Exact Mass417.16
IUPAC NameN-(2-methylsulfonylethyl)-3-[2-(oxan-4-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-amine
SMILESCS(=O)(=O)CCNc1nccn2c(-c3ccnc(NC4CCOCC4)n3)cnc12
InChIInChI=1S/C18H23N7O3S/c1-29(26,27)11-7-20-16-17-22-12-15(25(17)8-6-19-16)14-2-5-21-18(24-14)23-13-3-9-28-10-4-13/h2,5-6,8,12-13H,3-4,7,9-11H2,1H3,(H,19,20)(H,21,23,24)
InChIKeySULSZYAAVLSRPK-UHFFFAOYSA-N
XLogP1.23
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(2-methylsulfonylethyl)-3-[2-(oxan-4-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sulfonamide deriv. 3a
CID 6539024
Sulfonamide deriv. 3b
CID 6539025
Sulfonamide deriv. 3c
CID 6539026
N-(2-(dimethylamino)ethyl)-4-((4-(imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-yl)amino)benzene-1-sulfonamide
CID 6539027
Sulfonamide deriv. 3e
CID 6539028
N~2~-[2-Methyl-2-(Methylsulfonyl)propyl]-N~4~-[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]pyrimidine-2,4-Diamine
CID 90183696
2-Methyl-N-{2-[4-(Methylsulfonyl)piperidin-1-Yl]pyrimidin-4-Yl}-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Amine
CID 91971390
2-Methyl-N-[2-(2-Methyl-2-Methylsulfonyl-Propoxy)pyrimidin-4-Yl]-1-Propan-2-Yl-Imidazo[4,5-C]pyridin-6-Amine
CID 91971392
Imidazo[1,2-a]pyridine deriv. 4f
CID 6539035
2-{4-[4-(2-Methoxyethylsulphonyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidine
CID 44578616
4-(H-imidazo[1,2-a]pyridin-3-yl)-N-methyl-N-(piperidin-4-yl)pyrimidin-2-amine
CID 44586245
N-[4-[[8-(2,4-difluoroanilino)-9-(oxan-4-yl)purin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 57399682

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-3-[2-(oxan-4-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-(2-methylsulfonylethyl)-3-[2-(oxan-4-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-amine (CID 66548082) is N-(2-methylsulfonylethyl)-3-[2-(oxan-4-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-3-[2-(oxan-4-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)-3-[2-(oxan-4-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-amine is CS(=O)(=O)CCNc1nccn2c(-c3ccnc(NC4CCOCC4)n3)cnc12.
What is the InChIKey of N-(2-methylsulfonylethyl)-3-[2-(oxan-4-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is SULSZYAAVLSRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3S/c1-29(26,27)11-7-20-16-17-22-12-15(25(17)8-6-19-16)14-2-5-21-18(24-14)23-13-3-9-28-10-4-13/h2,5-6,8,12-13H,3-4,7,9-11H2,1H3,(H,19,20)(H,21,23,24).
What are the key properties of N-(2-methylsulfonylethyl)-3-[2-(oxan-4-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-amine?
N-(2-methylsulfonylethyl)-3-[2-(oxan-4-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 417.50 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-3-[2-(oxan-4-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 66548082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).