[4-Amino-2-(1-methanesulfonyl-piperidin-4-ylamino)-pyrimidin-5-yl]-(5-fluoro-2-methoxy-4-methyl-phenyl)-methanone
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Basic information
- Standard SMILES
COc1cc(C)c(F)cc1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N- InChIKey
DPZUJPXVAPZHTQ-UHFFFAOYSA-N- Molecular formula
- C19H24FN5O4S
- Average molar mass
- 437.5 g/mol
- Monoisotopic mass
- 437.1533036
Names & identifiers
- Preferred name
- [4-Amino-2-(1-methanesulfonyl-piperidin-4-ylamino)-pyrimidin-5-yl]-(5-fluoro-2-methoxy-4-methyl-phenyl)-methanone
- IUPAC
- [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(5-fluoro-2-methoxy-4-methylphenyl)methanone
Names & synonyms
SCHEMBL4351960DPZUJPXVAPZHTQ-UHFFFAOYSA-N[4-amino-2-(1-methanesulfonyl-piperidin-4-ylamino)-pyrimidin-5-yl]-(5-fluoro-2-methoxy-4-methyl-phenyl)-methanone
Database identifiers
- PubChem CID
- 58777577
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 698
Suppliers
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Related reactions
2 records
Compound notes
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