6-Chloro-N4-(p-tolyl)pyrimidine-4,5-diamine
Basic information
- CAS
17465-94-0- Standard SMILES
Cc1ccc(Nc2ncnc(Cl)c2N)cc1- InChIKey
FBDDGVBGBAHKJJ-UHFFFAOYSA-N- Molecular formula
- C11H11ClN4
- Average molar mass
- 234.68 g/mol
- Monoisotopic mass
- 234.0672241
Names & identifiers
- Preferred name
- 6-Chloro-N4-(p-tolyl)pyrimidine-4,5-diamine
- IUPAC
- 6-chloro-4-N-(4-methylphenyl)pyrimidine-4,5-diamine
- English name
- 6-Chloro-N4-(4-methylphenyl)-4,5-pyrimidinediamine
- Molecular formula
- C11H11ClN4
- Molecular weight
- 234.68
Names & synonyms
17465-94-06-Chloro-N4-(p-tolyl)pyrimidine-4,5-diamine6-Chloro-N4-(4-methylphenyl)-4,5-pyrimidinediamine6-chloro-4-N-(4-methylphenyl)pyrimidine-4,5-diamineMLS0026947774,5-Pyrimidinediamine, 6-chloro-N4-(4-methylphenyl)-NSC87696NCIOpen2_005178CHEMBL1717815SCHEMBL17815587DTXSID70938543HMS3092K13
Show more names
6-Chloro-N4-p-tolyl-pyriMidine-4,5-diaMine
NSC-87696AKOS002917316SB59639SMR001560696DB-3995496-Chloro-N~4~-(4-methylphenyl)pyrimidine-4,5-diamine
Database identifiers
- CAS
17465-94-0- PubChem CID
- 258602
- DTXSID
DTXSID70938543- ChEMBL
CHEMBL1717815
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 389.6 · 389.6±42.0 °C(Predicted)
- Density
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.45 · 2.45±0.10(Predicted)
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Compound notes
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