4,5-Pyrimidinediamine, 2-chloro-N4-(2-furanylmethyl)-6-methyl-
Basic information
- CAS
890094-24-3- Standard SMILES
Cc1nc(Cl)nc(NCc2ccco2)c1N- InChIKey
NNJCFTAYPSQZOH-UHFFFAOYSA-N- Molecular formula
- C10H11ClN4O
- Average molar mass
- 238.67 g/mol
- Monoisotopic mass
- 238.0621387
Names & identifiers
- Preferred name
- 4,5-Pyrimidinediamine, 2-chloro-N4-(2-furanylmethyl)-6-methyl-
- IUPAC
- 2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
Names & synonyms
890094-24-34,5-Pyrimidinediamine, 2-chloro-N4-(2-furanylmethyl)-6-methyl-DTXSID501185523AKOS0026663692-Chloro-N4-(2-furanylmethyl)-6-methyl-4,5-pyrimidinediamine2-Chloro-N~4~-[(furan-2-yl)methyl]-6-methylpyrimidine-4,5-diamine
Database identifiers
- CAS
890094-24-3- PubChem CID
- 7147199
- DTXSID
DTXSID501185523
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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