Stk064997
Basic information
- CAS
299929-72-9- Standard SMILES
Cc1ccc(Nc2nc(Cl)nc(NC(C)(C)C)n2)cc1- InChIKey
QTGDVOOEMHTAPS-UHFFFAOYSA-N- Molecular formula
- C14H18ClN5
- Average molar mass
- 291.78 g/mol
- Monoisotopic mass
- 291.1250733
Names & identifiers
- Preferred name
- Stk064997
- IUPAC
- 2-N-tert-butyl-6-chloro-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
- English name
- CHEMBRDG-BB 5101465
- Molecular formula
- C14H18ClN5
- Molecular weight
- 291.78
Names & synonyms
299929-72-9STK064997DTXSID80354674RefChem:382090DTXCID50305734N2-(tert-Butyl)-6-chloro-N4-(p-tolyl)-1,3,5-triazine-2,4-diamineN-(TERT-BUTYL)-6-CHLORO-N'-(4-METHYLPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINEN-tert-Butyl-6-chloro-N'-p-tolyl-[1,3,5]triazine-2,4-diamine2-N-tert-butyl-6-chloro-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamineOprea1_049159Oprea1_125120CBDivE_015432
Show more names
CHEMBRDG-BB 51014651,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1,1-dimethylethyl)-N4-(4-methylphenyl)-N-(tert-butyl)-6-chloro-N'-(4-methylphenyl)-1,3,5-triazine-2,4-diamine(SALTDATA: FREE)
MLS001210104SCHEMBL3502383CHEMBL1312909HMS2826L22MFCD00422444AKOS000593763CCG-299699SB73474
Database identifiers
- CAS
299929-72-9- PubChem CID
- 778562
- DTXSID
DTXSID80354674- ChEMBL
CHEMBL1312909
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 298
Experimental & physicochemical properties
Solubility3.8 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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