N-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine

C22H26N6O3S2 — CID 67189129

IUPACN-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine
SMILESCN(C)S(=O)(=O)N(C)Cc1cc2nc(-c3cccc4[nH]ccc34)nc(N3CCOCC3)c2s1
InChIInChI=1S/C22H26N6O3S2/c1-26(2)33(29,30)27(3)14-15-13-19-20(32-15)22(28-9-11-31-12-10-28)25-21(24-19)17-5-4-6-18-16(17)7-8-23-18/h4-8,13,23H,9-12,14H2,1-3H3
InChIKeyYSUMTOCFVIEEJQ-UHFFFAOYSA-N
MW486.62 g/mol
LogP2.91
Rot. Bonds6

About N-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine

N-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine (PubChem CID 67189129) has the molecular formula C22H26N6O3S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine
PubChem CID67189129
Molecular FormulaC22H26N6O3S2
Molecular Weight486.62 g/mol
Exact Mass486.15
IUPAC NameN-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine
SMILESCN(C)S(=O)(=O)N(C)Cc1cc2nc(-c3cccc4[nH]ccc34)nc(N3CCOCC3)c2s1
InChIInChI=1S/C22H26N6O3S2/c1-26(2)33(29,30)27(3)14-15-13-19-20(32-15)22(28-9-11-31-12-10-28)25-21(24-19)17-5-4-6-18-16(17)7-8-23-18/h4-8,13,23H,9-12,14H2,1-3H3
InChIKeyYSUMTOCFVIEEJQ-UHFFFAOYSA-N
XLogP2.91
TPSA94.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylmethanesulfonamide
CID 155568452
4-[2-(1H-indol-4-yl)-6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59151321
3-[4-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propan-1-ol
CID 59151270
4-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-(2-methoxyethyl)-N-methylpiperazine-1-carboxamide
CID 11497652
1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-1,3-dimethylurea
CID 155523124
4-[2-(1H-indol-4-yl)-6-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24936351
4-[6-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 58117040
1-(2-hydroxyethyl)-4-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one
CID 24938258
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfonamide
CID 59592859
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-methylsulfonylethanamine
CID 59593057
4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937009
3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine
CID 130267909

Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine?
The IUPAC name of N-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine (CID 67189129) is N-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine.
What is the SMILES notation for N-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine?
The canonical SMILES for N-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine is CN(C)S(=O)(=O)N(C)Cc1cc2nc(-c3cccc4[nH]ccc34)nc(N3CCOCC3)c2s1.
What is the InChIKey of N-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine?
The InChIKey is YSUMTOCFVIEEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3S2/c1-26(2)33(29,30)27(3)14-15-13-19-20(32-15)22(28-9-11-31-12-10-28)25-21(24-19)17-5-4-6-18-16(17)7-8-23-18/h4-8,13,23H,9-12,14H2,1-3H3.
What are the key properties of N-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine?
N-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine has a molecular weight of 486.62 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine is sourced from PubChem (CID 67189129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).