6-(4-Methyl-piperazine-1-sulfonyl)-quinazoline-2,4-diamine
Basic information
- CAS
56044-10-1- Standard SMILES
CN1CCN(S(=O)(=O)c2ccc3nc(N)nc(N)c3c2)CC1- InChIKey
WJIPXNDWOWNFHN-UHFFFAOYSA-N- Molecular formula
- C13H18N6O2S
- Average molar mass
- 322.39 g/mol
- Monoisotopic mass
- 322.12119501
Names & identifiers
- Preferred name
- 6-(4-Methyl-piperazine-1-sulfonyl)-quinazoline-2,4-diamine
- IUPAC
- 6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-diamine
Names & synonyms
56044-10-16-((4-methylpiperazin-1-yl)sulfonyl)quinazoline-2,4-diamine6-(4-Methyl-piperazine-1-sulfonyl)-quinazoline-2,4-diamine6-[(4-methylpiperazin-1-yl)sulfonyl]quinazoline-2,4-diamine6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-diamineCHEMBL46207DTXSID802045896-(4-Methylpiperazine-1-sulfonyl)quinazoline-2,4-diamine
Database identifiers
- CAS
56044-10-1- PubChem CID
- 516579
- DTXSID
DTXSID80204589- ChEMBL
CHEMBL46207
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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