Basic information
- CAS
108381-26-6- Standard SMILES
COc1ccccc1N1CCN(CCNc2nc(C)c(C(C)=O)c(C)n2)CC1- InChIKey
SASFUNXGPNBZOR-UHFFFAOYSA-N- Molecular formula
- C21H29N5O2
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.23212518
Names & identifiers
- Preferred name
- 2-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)amino-5-acetyl-4,6-dimethylpyrimidine
- IUPAC
- 1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-4,6-dimethylpyrimidin-5-yl]ethanone
Names & synonyms
2-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)amino-5-acetyl-4,6-dimethylpyrimidineRefChem:909118SHI-437 free base1PJ59Z2KLTUNII-1PJ59Z2KLT1-(2-((2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)amino)-4,6-dimethyl-5-pyrimidinyl)ethanone108381-26-6Ethanone, 1-(2-((2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)amino)-4,6-dimethyl-5-pyrimidinyl)-SCHEMBL6130213L002447
Database identifiers
- CAS
108381-26-6- PubChem CID
- 129406
- UNII
- 1PJ59Z2KLT
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…