6-Chloro-N2-isopropyl-N4-phenyl-1,3,5-triazine-2,4-diamine
Basic information
- CAS
53773-09-4- Standard SMILES
CC(C)Nc1nc(Cl)nc(Nc2ccccc2)n1- InChIKey
GLIWCUXRQXXJHM-UHFFFAOYSA-N- Molecular formula
- C12H14ClN5
- Average molar mass
- 263.72 g/mol
- Monoisotopic mass
- 263.0937732
Names & identifiers
- Preferred name
- 6-Chloro-N2-isopropyl-N4-phenyl-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-chloro-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Names & synonyms
53773-09-46-Chloro-N2-isopropyl-N4-phenyl-1,3,5-triazine-2,4-diamine6-chloro-N-isopropyl-N'-phenyl-1,3,5-triazine-2,4-diamine6-Chloro-N-isopropyl-N'-phenyl-[1,3,5]triazine-2,4-diamineMLS001207820SCHEMBL1924308CHEMBL1429620SCHEMBL30568861GLIWCUXRQXXJHM-UHFFFAOYSA-NDTXSID001324627HMS2815K056-chloro-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Show more names
AKOS000558605SMR000515158ST50238741AG-690/11763271N-(4-anilino-6-chloro-1,3,5-triazin-2-yl)-N-isopropylamine{4-chloro-6-[(methylethyl)amino](1,3,5-triazin-2-yl)}phenylamine6-Chloro-N~2~-phenyl-N~4~-(propan-2-yl)-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
53773-09-4- PubChem CID
- 790766
- DTXSID
DTXSID001324627- ChEMBL
CHEMBL1429620
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 245
Experimental & physicochemical properties
Solubility27.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
2 records
Compound notes
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