Basic information
- Standard SMILES
Cc1ccc(N)cc1-c1ccc2c(c1)[nH]c1ncncc12- InChIKey
ZJFDCLKRVGDQTO-UHFFFAOYSA-N- Molecular formula
- C17H14N4
- Average molar mass
- 274.32 g/mol
Names & identifiers
- Preferred name
- 4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)aniline
- IUPAC
- 4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)aniline
Names & synonyms
SCHEMBL4442828ZJFDCLKRVGDQTO-UHFFFAOYSA-N4-methyl-3-(9H-pyrimido[4,5-b]indol-7-yl)aniline
Database identifiers
- PubChem CID
- 69046499
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 374
Related reactions
6 records
Compound notes
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