Basic information
- CAS
1126602-51-4- Standard SMILES
CC(C)c1ccccc1Nc1nc(N)nc2c1-c1ccccc1C2- InChIKey
DFMQLARCVPAGSC-UHFFFAOYSA-N- Molecular formula
- C20H20N4
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.16879665
Names & identifiers
- Preferred name
- N4-[2-(1-Methylethyl)phenyl]-9H-indeno[2,1-d]pyrimidine-2,4-diamine
- IUPAC
- 4-N-(2-propan-2-ylphenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine
Names & synonyms
SCHEMBL12391866BDBM242722DTXSID5011630821126602-51-4US9422297, AAG145-124N~4~-[2-(Propan-2-yl)phenyl]-9H-indeno[2,1-d]pyrimidine-2,4-diamineN4-[2-(1-Methylethyl)phenyl]-9H-indeno[2,1-d]pyrimidine-2,4-diamine
Database identifiers
- CAS
1126602-51-4- PubChem CID
- 25218331
- DTXSID
DTXSID501163082- ChEMBL
CHEMBL2047244
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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