2-tert-Butyl-N~4~-(1-ethylpiperidin-4-yl)-N~4~-methylpyrimidine-4,6-diamine
Basic information
- CAS
1542964-04-4- Standard SMILES
CCN1CCC(N(C)c2cc(N)nc(C(C)(C)C)n2)CC1- InChIKey
ADFGOJFWODRBQJ-UHFFFAOYSA-N- Molecular formula
- C16H29N5
- Average molar mass
- 291.44 g/mol
- Monoisotopic mass
- 291.24229595
Names & identifiers
- Preferred name
- 2-tert-Butyl-N~4~-(1-ethylpiperidin-4-yl)-N~4~-methylpyrimidine-4,6-diamine
- IUPAC
- 2-tert-butyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyrimidine-4,6-diamine
Names & synonyms
DTXSID001131345AKOS0195293272-tert-Butyl-N~4~-(1-ethylpiperidin-4-yl)-N~4~-methylpyrimidine-4,6-diamine4,6-Pyrimidinediamine, 2-(1,1-dimethylethyl)-N4-(1-ethyl-4-piperidinyl)-N4-methyl-1542964-04-4
Database identifiers
- CAS
1542964-04-4- PubChem CID
- 80960453
- DTXSID
DTXSID001131345
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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