6-[(4-Methylpiperazin-1-yl)methyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
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Basic information
- Standard SMILES
CN1CCN(Cc2sc3ncnc(N)c3c2-c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
BLCMTHSNQOAJJM-UHFFFAOYSA-N- Molecular formula
- C18H20N6O2S
- Average molar mass
- 384.5 g/mol
Names & identifiers
- Preferred name
- 6-[(4-Methylpiperazin-1-yl)methyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
- IUPAC
- 6-[(4-methylpiperazin-1-yl)methyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
Names & synonyms
SCHEMBL4482403BLCMTHSNQOAJJM-UHFFFAOYSA-N6-[(4-methylpiperazin-1-yl)methyl]-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 11625167
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 518
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Related reactions
1 records
Compound notes
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