4,5-Pyrimidinediamine, 2-chloro-6-methyl-N4-(1-methylethyl)-
Basic information
- CAS
890094-20-9- Standard SMILES
Cc1nc(Cl)nc(NC(C)C)c1N- InChIKey
JZJCPSGUJAUBHN-UHFFFAOYSA-N- Molecular formula
- C8H13ClN4
- Average molar mass
- 200.67 g/mol
- Monoisotopic mass
- 200.0828741
Names & identifiers
- Preferred name
- 4,5-Pyrimidinediamine, 2-chloro-6-methyl-N4-(1-methylethyl)-
- IUPAC
- 2-chloro-6-methyl-4-N-propan-2-ylpyrimidine-4,5-diamine
Names & synonyms
890094-20-94,5-Pyrimidinediamine, 2-chloro-6-methyl-N4-(1-methylethyl)-SCHEMBL21299584DTXSID801194713AKOS0003205302-Chloro-6-methyl-N~4~-(propan-2-yl)pyrimidine-4,5-diamine2-Chloro-6-methyl-N4-(1-methylethyl)-4,5-pyrimidinediamine
Database identifiers
- CAS
890094-20-9- PubChem CID
- 7147196
- DTXSID
DTXSID801194713
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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