Basic information
- CAS
85826-35-3- Standard SMILES
C=CCc1c(Cl)nc(C)nc1NC- InChIKey
MPFXSVYHELXCRV-UHFFFAOYSA-N- Molecular formula
- C9H12ClN3
- Average molar mass
- 197.66 g/mol
- Monoisotopic mass
- 197.0719751
Names & identifiers
- Preferred name
- 4-Pyrimidinamine, 6-chloro-N,2-dimethyl-5-(2-propenyl)-
- IUPAC
- 6-chloro-N,2-dimethyl-5-prop-2-enylpyrimidin-4-amine
Names & synonyms
BRN 500590985826-35-34-Pyrimidinamine, 6-chloro-N,2-dimethyl-5-(2-propenyl)-6-Chloro-N,2-dimethyl-5-(2-propenyl)-4-pyrimidinamineDTXSID10235104RefChem:296098DTXCID701575956-chloro-N,2-dimethyl-5-(prop-2-en-1-yl)pyrimidin-4-amine
Database identifiers
- CAS
85826-35-3- PubChem CID
- 3070102
- DTXSID
DTXSID10235104
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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