N-(2,5-dimethylphenyl)-2-pyridin-4-ylquinazolin-4-amine
Basic information
- CAS
6000-31-3- Standard SMILES
Cc1ccc(C)c(Nc2nc(-c3ccncc3)nc3ccccc23)c1- InChIKey
HZLCLAGHLCKFLZ-UHFFFAOYSA-N- Molecular formula
- C21H18N4
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.15314659
Names & identifiers
- Preferred name
- N-(2,5-dimethylphenyl)-2-pyridin-4-ylquinazolin-4-amine
- IUPAC
- N-(2,5-dimethylphenyl)-2-pyridin-4-ylquinazolin-4-amine
Names & synonyms
6000-31-3N-(2,5-dimethylphenyl)-2-pyridin-4-ylquinazolin-4-aminen-(2,5-dimethylphenyl)-2-(pyridin-4-yl)quinazolin-4-amineMLS001197244N-(2,5-dimethylphenyl)-2-(4-pyridinyl)-4-quinazolinamineSMR000555452CBMicro_030442Neuro1_000629Oprea1_194094cid_748631CHEMBL1570499BDBM69840
Show more names
DTXSID20975428HMS2878H21CCG-17804STL330186AKOS001361137BIM-0030487.P001Z237479710(2,5-dimethylphenyl)-[2-(4-pyridyl)quinazolin-4-yl]amine
Database identifiers
- CAS
6000-31-3- PubChem CID
- 748631
- DTXSID
DTXSID20975428- ChEMBL
CHEMBL1570499
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 422
Experimental & physicochemical properties
Solubility<0.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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