Basic information
- CAS
664370-27-8- Standard SMILES
Cc1ccc(-n2c3c(c(=O)[nH]c2=O)C(C(F)(F)F)(C(F)(F)F)N=C(C2CCCCC2)N3)cc1- InChIKey
ZQBLWFXLAVMIDB-UHFFFAOYSA-N- Molecular formula
- C21H20F6N4O2
- Average molar mass
- 474.4 g/mol
Names & identifiers
- Preferred name
- 7-cyclohexyl-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
- IUPAC
- 7-cyclohexyl-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
- English name
- 7-cyclohexyl-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
- Molecular formula
- C21H20F6N4O2
- Molecular weight
- 474.3995192
Names & synonyms
7-cyclohexyl-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione664370-27-87-CYCLOHEXYL-1-(4-METHYLPHENYL)-5,5-BIS(TRIFLUOROMETHYL)-1H,2H,3H,4H,5H,8H-PYRIMIDO[4,5-D][1,3]DIAZINE-2,4-DIONEMLS000545965CHEMBL1433215HMS2369B21MFCD03783834AKOS0017149677-cyclohexyl-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dioneSMR000163436AG-389/41558610
Database identifiers
- CAS
664370-27-8- ChEMBL
CHEMBL1433215
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 866
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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