N-[3-(2,4-Diamino-6-benzyl-pyrimidin-5-YL)propyl]-4-methyl-N-phenyl-benzenesulfonamide
Basic information
- CAS
2520-03-8- Standard SMILES
Cc1ccc(S(=O)(=O)N(CCCc2c(N)nc(N)nc2Cc2ccccc2)c2ccccc2)cc1- InChIKey
JKLZAPVGKJPECJ-UHFFFAOYSA-N- Molecular formula
- C27H29N5O2S
- Average molar mass
- 487.6 g/mol
- Monoisotopic mass
- 487.20419636
Names & identifiers
- Preferred name
- N-[3-(2,4-Diamino-6-benzyl-pyrimidin-5-YL)propyl]-4-methyl-N-phenyl-benzenesulfonamide
- IUPAC
- N-[3-(2,4-diamino-6-benzylpyrimidin-5-yl)propyl]-4-methyl-N-phenylbenzenesulfonamide
Names & synonyms
2520-03-8NSC212101N-[3-(2,4-DIAMINO-6-BENZYL-PYRIMIDIN-5-YL)PROPYL]-4-METHYL-N-PHENYL-BENZENESULFONAMIDEDTXSID60309480NSC-212101N-[3-(2,4-Diamino-6-benzylpyrimidin-5-yl)propyl]-4-methyl-N-phenylbenzene-1-sulfonamide
Database identifiers
- CAS
2520-03-8- PubChem CID
- 309708
- DTXSID
DTXSID60309480
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 724
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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