3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide

C21H25N7O3S — CID 68917549

IUPAC3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide
SMILESCc1c(-c2cnc(N)nc2)nc(N2CCOCC2)nc1-c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C21H25N7O3S/c1-14-18(15-5-4-6-17(11-15)32(29,30)27(2)3)25-21(28-7-9-31-10-8-28)26-19(14)16-12-23-20(22)24-13-16/h4-6,11-13H,7-10H2,1-3H3,(H2,22,23,24)
InChIKeyDQYADYRJJBGELJ-UHFFFAOYSA-N
MW455.54 g/mol
LogP1.58
Rot. Bonds5

About 3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide

3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 68917549) has the molecular formula C21H25N7O3S and a molecular weight of 455.54 g/mol. Its IUPAC name is 3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID68917549
Molecular FormulaC21H25N7O3S
Molecular Weight455.54 g/mol
Exact Mass455.17
IUPAC Name3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide
SMILESCc1c(-c2cnc(N)nc2)nc(N2CCOCC2)nc1-c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C21H25N7O3S/c1-14-18(15-5-4-6-17(11-15)32(29,30)27(2)3)25-21(28-7-9-31-10-8-28)26-19(14)16-12-23-20(22)24-13-16/h4-6,11-13H,7-10H2,1-3H3,(H2,22,23,24)
InChIKeyDQYADYRJJBGELJ-UHFFFAOYSA-N
XLogP1.58
TPSA127.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide 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

N,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide
CID 67035240
5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 59507556
4-amino-N,N-dimethyl-3-morpholin-4-ylbenzenesulfonamide
CID 82899628
N-[5-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine
CID 59507574
3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol
CID 123967937
4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 59244309
4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-(ethylamino)ethyl]-N,3-dimethylbenzenesulfonamide
CID 71017237
N-[3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-N-methylacetamide
CID 118638329
3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide
CID 13203487
N-[3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 59244894
3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 59244440
4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide
CID 42613285

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide (CID 68917549) is 3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide is Cc1c(-c2cnc(N)nc2)nc(N2CCOCC2)nc1-c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is DQYADYRJJBGELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3S/c1-14-18(15-5-4-6-17(11-15)32(29,30)27(2)3)25-21(28-7-9-31-10-8-28)26-19(14)16-12-23-20(22)24-13-16/h4-6,11-13H,7-10H2,1-3H3,(H2,22,23,24).
What are the key properties of 3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide?
3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 455.54 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 68917549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).