4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide

C21H25FN6O3S — CID 16666188

IUPAC4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCc1ncc(-c2nc(Nc3ccc(S(=O)(=O)N(C)C)cc3)ncc2F)n1C1CCOCC1
InChIInChI=1S/C21H25FN6O3S/c1-14-23-13-19(28(14)16-8-10-31-11-9-16)20-18(22)12-24-21(26-20)25-15-4-6-17(7-5-15)32(29,30)27(2)3/h4-7,12-13,16H,8-11H2,1-3H3,(H,24,25,26)
InChIKeyCIUVREIHECGYBX-UHFFFAOYSA-N
MW460.54 g/mol
LogP3.13
Rot. Bonds6

About 4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide

4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 16666188) has the molecular formula C21H25FN6O3S and a molecular weight of 460.54 g/mol. Its IUPAC name is 4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide
PubChem CID16666188
Molecular FormulaC21H25FN6O3S
Molecular Weight460.54 g/mol
Exact Mass460.17
IUPAC Name4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCc1ncc(-c2nc(Nc3ccc(S(=O)(=O)N(C)C)cc3)ncc2F)n1C1CCOCC1
InChIInChI=1S/C21H25FN6O3S/c1-14-23-13-19(28(14)16-8-10-31-11-9-16)20-18(22)12-24-21(26-20)25-15-4-6-17(7-5-15)32(29,30)27(2)3/h4-7,12-13,16H,8-11H2,1-3H3,(H,24,25,26)
InChIKeyCIUVREIHECGYBX-UHFFFAOYSA-N
XLogP3.13
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-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

Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide (CID 16666188) is 4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide is Cc1ncc(-c2nc(Nc3ccc(S(=O)(=O)N(C)C)cc3)ncc2F)n1C1CCOCC1.
What is the InChIKey of 4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is CIUVREIHECGYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O3S/c1-14-23-13-19(28(14)16-8-10-31-11-9-16)20-18(22)12-24-21(26-20)25-15-4-6-17(7-5-15)32(29,30)27(2)3/h4-7,12-13,16H,8-11H2,1-3H3,(H,24,25,26).
What are the key properties of 4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide?
4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 460.54 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 16666188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).