Basic information
- CAS
669718-62-1- Standard SMILES
CCc1ccc2nc(Nc3ncc(C(C)=O)c(C)n3)nc(C)c2c1- InChIKey
DDCFLVDGBLZPSP-UHFFFAOYSA-N- Molecular formula
- C18H19N5O
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.15896025
Names & identifiers
- Preferred name
- 1-[2-[(6-Ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
- IUPAC
- 1-[2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
Names & synonyms
669718-62-11-[2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone1-{2-[(6-Ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl}ethan-1-one1-(2-((6-ethyl-4-methylquinazolin-2-yl)amino)-4-methylpyrimidin-5-yl)ethanone1-{2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl}ethanoneMLS000763138CHEMBL1508210DTXSID001320637HMS2790A23STK167370STK853165AKOS001711056
Show more names
AKOS005630341SMR000439573SR-01000278901SR-01000278901-11-[2-(6-Ethyl-4-methyl-quinazolin-2-ylamino)-4-methyl-pyrimidin-5-yl]-ethanone1-(2-{[(2E)-6-ethyl-4-methylquinazolin-2(1H)-ylidene]amino}-4-methylpyrimidin-5-yl)ethanone
Database identifiers
- CAS
669718-62-1- PubChem CID
- 941014
- DTXSID
DTXSID001320637- ChEMBL
CHEMBL1508210
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 445
Experimental & physicochemical properties
Solubility6.9 [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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