Basic information
- CAS
6633-67-6- Standard SMILES
Nc1cc(Nc2cccc(Cl)c2)nc(N)n1- InChIKey
UBLVYMZBOMHJKQ-UHFFFAOYSA-N- Molecular formula
- C10H10ClN5
- Average molar mass
- 235.67 g/mol
- Monoisotopic mass
- 235.062473
Names & identifiers
- Preferred name
- 4-N-(3-chlorophenyl)pyrimidine-2,4,6-triamine
- IUPAC
- 4-N-(3-chlorophenyl)pyrimidine-2,4,6-triamine
- English name
- N4-(3-chlorophenyl)pyrimidine-2,4,6-triamine
- Molecular formula
- C10H10ClN5
- Molecular weight
- 235.67
Names & synonyms
6633-67-6NSC42136DTXSID80984935NSC-42136AKOS0193288326-[(3-Chlorophenyl)imino]-2-imino-1,2,3,6-tetrahydropyrimidin-4-amineN4-(3-chlorophenyl)pyrimidine-2,4,6-triamine2,4,6-Pyrimidinetriamine, N4-(3-chlorophenyl)-
Database identifiers
- CAS
6633-67-6- PubChem CID
- 238014
- DTXSID
DTXSID80984935
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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