Basic information
- CAS
331676-01-8- Standard SMILES
CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc(Br)cc2)NC(=S)N1- InChIKey
KSRPARVTWPNDFL-UHFFFAOYSA-N- Molecular formula
- C19H18BrN3OS
- Average molar mass
- 416.3 g/mol
- Monoisotopic mass
- 415.0354
Names & identifiers
- Preferred name
- 6-(4-bromophenyl)-4-methyl-N-(4-methylphenyl)-2-sulfanyl-1,6-dihydropyrimidine-5-carboxamide
- IUPAC
- 4-(4-bromophenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
- English name
- 4-(4-bromophenyl)-6-methyl-N-(4-methylphenyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
- Molecular formula
- C19H18BrN3OS
- Molecular weight
- 416.33
Names & synonyms
6-(4-bromophenyl)-4-methyl-N-(4-methylphenyl)-2-sulfanyl-1,6-dihydropyrimidine-5-carboxamideCBMicro_025115CCG-12248STK114957AKOS000368888AKOS000631139AKOS022085093AKOS030483783NCGC00327666-014-(4-bromophenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamideBIM-0025174.P001AB00321864-03
Show more names
5-Pyrimidinecarboxamide, 4-(4-bromophenyl)-1,2,3,4-tetrahydro-6-methyl-N-(4-methylphenyl)-2-thioxo-
AG-690/110610364-(4-bromophenyl)-6-methyl-N-(4-methylphenyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide6-(4-bromophenyl)-2-mercapto-4-methyl-N-(4-methylphenyl)-1,6-dihydro-5-pyrimidinecarboxamide
Database identifiers
- CAS
331676-01-8- PubChem CID
- 2941153
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 549
Physicochemical properties
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- 11.2 · 11.20±0.70(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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