4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide

C17H24N4O2S — CID 47982497

IUPAC4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)nc(C)n1
InChIInChI=1S/C17H24N4O2S/c1-12(2)21(5)24(22,23)16-8-6-15(7-9-16)11-18-17-10-13(3)19-14(4)20-17/h6-10,12H,11H2,1-5H3,(H,18,19,20)
InChIKeyUDEPRZOMLGSBPV-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.73
Rot. Bonds6

About 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide

4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 47982497) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID47982497
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)nc(C)n1
InChIInChI=1S/C17H24N4O2S/c1-12(2)21(5)24(22,23)16-8-6-15(7-9-16)11-18-17-10-13(3)19-14(4)20-17/h6-10,12H,11H2,1-5H3,(H,18,19,20)
InChIKeyUDEPRZOMLGSBPV-UHFFFAOYSA-N
XLogP2.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide with MolForge

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Related Compounds

6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 53499530
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 47267638
N-methyl-4-[[(5-nitro-2-pyridinyl)amino]methyl]-N-propan-2-ylbenzenesulfonamide
CID 47982474
5-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 71898360
N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide
CID 54921908
N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide
CID 133482418
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 47156644
4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 86844952
2-(2,6-dimethylphenoxy)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide
CID 47731753
4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid
CID 122030686
4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 133283395
N-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 55031927

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide (CID 47982497) is 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide is Cc1cc(NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)nc(C)n1.
What is the InChIKey of 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is UDEPRZOMLGSBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12(2)21(5)24(22,23)16-8-6-15(7-9-16)11-18-17-10-13(3)19-14(4)20-17/h6-10,12H,11H2,1-5H3,(H,18,19,20).
What are the key properties of 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 47982497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).