4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide

C21H24N4O2S — CID 157050203

IUPAC4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide
SMILESCc1cccc(-c2cc(CCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)c1C
InChIInChI=1S/C21H24N4O2S/c1-14-5-3-8-19(15(14)2)20-13-17(24-21(22)25-20)7-4-6-16-9-11-18(12-10-16)28(23,26)27/h3,5,8-13H,4,6-7H2,1-2H3,(H2,22,24,25)(H2,23,26,27)
InChIKeyXJOBELXMOCFVMR-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.17
Rot. Bonds6

About 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide

4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide (PubChem CID 157050203) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide
PubChem CID157050203
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide
SMILESCc1cccc(-c2cc(CCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)c1C
InChIInChI=1S/C21H24N4O2S/c1-14-5-3-8-19(15(14)2)20-13-17(24-21(22)25-20)7-4-6-16-9-11-18(12-10-16)28(23,26)27/h3,5,8-13H,4,6-7H2,1-2H3,(H2,22,24,25)(H2,23,26,27)
InChIKeyXJOBELXMOCFVMR-UHFFFAOYSA-N
XLogP3.17
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide 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

4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide
CID 159279676
4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N-(oxetan-3-yl)benzenesulfonamide
CID 157412886
4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-hydroxypropyl]benzenesulfonamide
CID 161008621
4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidin-2-amine
CID 158535242
4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-hydroxybenzamide;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-2,2,2-trifluoroethanone;4-[3-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine;4-[4-(aminomethyl)phenyl]-6-ethylpyrimidin-2-amine
CID 158894660
N-[4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]methanesulfonamide
CID 118559488
6-(2,3-dimethylphenyl)-4-N-[3-(4-methylsulfonylphenyl)sulfonylpropyl]pyrimidine-2,4-diamine
CID 158404237
4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-[[1-[(4-chlorophenyl)methyl]cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine
CID 158836738
4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethoxy]benzonitrile;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzonitrile;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-pyridin-4-ylpropyl)pyrimidin-2-amine
CID 158949673
4-(cyclohexylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine
CID 157119078
4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzenesulfonamide
CID 118559397
4-[2-[[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 118559221

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide?
The IUPAC name of 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide (CID 157050203) is 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide?
The canonical SMILES for 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide is Cc1cccc(-c2cc(CCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)c1C.
What is the InChIKey of 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide?
The InChIKey is XJOBELXMOCFVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-14-5-3-8-19(15(14)2)20-13-17(24-21(22)25-20)7-4-6-16-9-11-18(12-10-16)28(23,26)27/h3,5,8-13H,4,6-7H2,1-2H3,(H2,22,24,25)(H2,23,26,27).
What are the key properties of 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide?
4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide has a molecular weight of 396.52 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 157050203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).