N-[3-(2,4-Diamino-6-methyl-pyrimidin-5-YL)propyl]-4-methyl-N-phenyl-benzenesulfonamide

HCID 308702

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Basic information

CAS: 57278-41-8
Standard SMILES: Cc1ccc(S(=O)(=O)N(CCCc2c(C)nc(N)nc2N)c2ccccc2)cc1
InChIKey: XYRUYFPPRLOTIN-UHFFFAOYSA-N
Molecular formula: C21H25N5O2S
Average molar mass: 411.5 g/mol
Monoisotopic mass: 411.17289623

Names & identifiers

Preferred name: N-[3-(2,4-Diamino-6-methyl-pyrimidin-5-YL)propyl]-4-methyl-N-phenyl-benzenesulfonamide
IUPAC: N-[3-(2,4-diamino-6-methylpyrimidin-5-yl)propyl]-4-methyl-N-phenylbenzenesulfonamide

Names & synonyms

57278-41-8N-[3-(2,4-DIAMINO-6-METHYL-PYRIMIDIN-5-YL)PROPYL]-4-METHYL-N-PHENYL-BENZENESULFONAMIDEDTXSID80308995NSC210579NSC-210579N-[3-(2,4-Diamino-6-methylpyrimidin-5-yl)propyl]-4-methyl-N-phenylbenzene-1-sulfonamide

Database identifiers

CAS: 57278-41-8
PubChem CID: 308702
DTXSID: DTXSID80308995

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 124 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 29
Formal charge: 0
Complexity: 597

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