Basic information
- Standard SMILES
CCCC(C(=O)OC)c1c(C)nc(-c2ccccc2)nc1N1CCN(C)CC1- InChIKey
XIYOPCKYVQQFQL-UHFFFAOYSA-N- Molecular formula
- C22H30N4O2
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.23687621
Names & identifiers
- Preferred name
- Methyl 2-(4-methyl-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-5-yl)pentanoate
- IUPAC
- methyl 2-[4-methyl-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-5-yl]pentanoate
Names & synonyms
SCHEMBL1227507XIYOPCKYVQQFQL-UHFFFAOYSA-NMethyl 2-(4-methyl-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-5-yl)pentanoate
Database identifiers
- PubChem CID
- 66955770
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 489
Related reactions
2 records
Compound notes
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