Basic information
- Standard SMILES
COc1cnc(Nc2cnc(Cl)c(NS(=O)(=O)N3CCOCC3)c2)c(-c2nc(C)nc(N)n2)c1- InChIKey
JQXMRKGWLJIJAG-UHFFFAOYSA-N- Molecular formula
- C19H22ClN9O4S
- Average molar mass
- 508 g/mol
Names & identifiers
- Preferred name
- N-(5-(3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methoxypyridin-2-ylamino)-2-chloropyridin-3-yl)morpholine-4-sulfonamide
- IUPAC
- N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methoxy-2-pyridinyl]amino]-2-chloro-3-pyridinyl]morpholine-4-sulfonamide
Names & synonyms
CHEMBL2206905SCHEMBL169720JQXMRKGWLJIJAG-UHFFFAOYSA-NBDBM50401255US8772480, 334N-(5-(3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methoxypyridin-2-ylamino)-2-chloropyridin-3-yl)morpholine-4-sulfonamide
Database identifiers
- PubChem CID
- 59548437
- ChEMBL
CHEMBL2206905
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 757
Related reactions
3 records
Compound notes
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