4-Pyrimidinamine, N-cyclopropyl-N-methyl-2-(4-(3,3,3-triphenylpropyl)-1-piperazinyl)-, hydrochloride, hydrate (2:4:1)
Basic information
- CAS
36524-61-5- Standard SMILES
CN(c1ccnc(N2CCN(CCC(c3ccccc3)(c3ccccc3)c3ccccc3)CC2)n1)C1CC1.Cl.Cl- InChIKey
CSZYLKZYLJOJNB-UHFFFAOYSA-N- Molecular formula
- C33H39Cl2N5
- Average molar mass
- 576.6 g/mol
- Monoisotopic mass
- 575.2582517
Names & identifiers
- Preferred name
- 4-Pyrimidinamine, N-cyclopropyl-N-methyl-2-(4-(3,3,3-triphenylpropyl)-1-piperazinyl)-, hydrochloride, hydrate (2:4:1)
- IUPAC
- N-cyclopropyl-N-methyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidin-4-amine;dihydrochloride
Names & synonyms
N-Cyclopropyl-N-methyl-2-(4-(3,3,3-triphenylpropyl)-1-piperazinyl)-4-pyrimidinamine 2HCl36524-61-54-Pyrimidinamine, N-cyclopropyl-N-methyl-2-(4-(3,3,3-triphenylpropyl)-1-piperazinyl)-, hydrochloride, hydrate (2:4:1)RefChem:296105DTXSID60957824N-Cyclopropyl-N-methyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidin-4-amine--hydrogen chloride (1/2)
Database identifiers
- CAS
36524-61-5- PubChem CID
- 215860
- DTXSID
DTXSID60957824
Properties
Computed structural properties
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 653
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Compound notes
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