6-(Piperidine-1-sulfonyl)-quinazoline-2,4-diamine
Basic information
- CAS
56044-06-5- Standard SMILES
Nc1nc(N)c2cc(S(=O)(=O)N3CCCCC3)ccc2n1- InChIKey
PEKBXLPDMLWTFU-UHFFFAOYSA-N- Molecular formula
- C13H17N5O2S
- Average molar mass
- 307.37 g/mol
- Monoisotopic mass
- 307.11029598
Names & identifiers
- Preferred name
- 6-(Piperidine-1-sulfonyl)-quinazoline-2,4-diamine
- IUPAC
- 6-piperidin-1-ylsulfonylquinazoline-2,4-diamine
Names & synonyms
56044-06-56-(piperidin-1-ylsulfonyl)quinazoline-2,4-diamine6-(Piperidine-1-sulfonyl)-quinazoline-2,4-diamine6-(PIPERIDINE-1-SULFONYL)QUINAZOLINE-2,4-DIAMINEGNF-Pf-104CHEMBL46336DTXSID002045866-(1-piperidylsulfonyl)quinazoline-2,4-diamine
Database identifiers
- CAS
56044-06-5- PubChem CID
- 516574
- DTXSID
DTXSID00204586- ChEMBL
CHEMBL46336
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 460
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Compound notes
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