2-(3,5-dimethylpiperidin-1-yl)-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
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Basic information
- CAS
672340-78-2- Standard SMILES
CC1CC(C)CN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(F)cc3)n2)C1- InChIKey
CEXAYWOZJNURAK-UHFFFAOYSA-N- Molecular formula
- C17H21FN6O2
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.1710021
Names & identifiers
- Preferred name
- 2-(3,5-dimethylpiperidin-1-yl)-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
- IUPAC
- 2-(3,5-dimethylpiperidin-1-yl)-4-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
- English name
- 2-(3,5-dimethylpiperidin-1-yl)-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
- Molecular formula
- C17H21FN6O2
- Molecular weight
- 360.39
Names & synonyms
STK555896AKOS002200352AKOS0163056022-(3,5-dimethylpiperidin-1-yl)-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine2-(3,5-DIMETHYLPIPERIDIN-1-YL)-N4-(4-FLUOROPHENYL)-5-NITROPYRIMIDINE-4,6-DIAMINEST50138899[6-amino-2-(3,5-dimethylpiperidyl)-5-nitropyrimidin-4-yl](4-fluorophenyl)amine4,6-Pyrimidinediamine, 2-(3,5-dimethyl-1-piperidinyl)-N4-(4-fluorophenyl)-5-nitro-
Database identifiers
- CAS
672340-78-2- PubChem CID
- 3814771
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
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Compound notes
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