Basic information
- Standard SMILES
C=CCNc1nc(N2CCC(C)CC2)c2scc(C)c2n1- InChIKey
NZFGWWWKEDJQEO-UHFFFAOYSA-N- Molecular formula
- C16H22N4S
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.15651789
Names & identifiers
- Preferred name
- 2-Allylamino-7-methyl-4-(4-methylpiperidino)thieno[3,2-d]pyrimidine
- IUPAC
- 7-methyl-4-(4-methylpiperidin-1-yl)-N-prop-2-enylthieno[3,2-d]pyrimidin-2-amine
Names & synonyms
SCHEMBL7682995NZFGWWWKEDJQEO-UHFFFAOYSA-N2-Allylamino-7-methyl-4-(4-methylpiperidino)thieno[3,2-d] pyrimidine2-Allylamino-7-methyl-4-(4-methylpiperidino)thieno[3,2-d]pyrimidine
Database identifiers
- PubChem CID
- 18326440
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
Related reactions
2 records
Compound notes
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