Basic information
- CAS
904500-27-2- Standard SMILES
Cc1ccc(-n2c(C)c(C)c3c(NCCN(C)C)ncnc32)cc1- InChIKey
OZSMQSHZRFZZNR-UHFFFAOYSA-N- Molecular formula
- C19H25N5
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.21099582
Names & identifiers
- Preferred name
- N-[5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
- IUPAC
- N-[5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
Names & synonyms
904500-27-2MLS001216065N-[5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamineCHEMBL1715676DTXSID501324860HMS2869L07STK602573AKOS005538985SMR000544570N'-[5,6-dimethyl-7-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N,N-dimethylethane-1,2-diamineN~2~-[5,6-Dimethyl-7-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N~1~,N~1~-dimethylethane-1,2-diamineN1-(5,6-dimethyl-7-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N2,N2-dimethylethane-1,2-diamine
Database identifiers
- CAS
904500-27-2- PubChem CID
- 8029639
- DTXSID
DTXSID501324860- ChEMBL
CHEMBL1715676
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 393
Experimental & physicochemical properties
Solubility37.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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