Basic information
- CAS
85826-34-2- Standard SMILES
C=CCc1c(N)nc(C)nc1Cl- InChIKey
PMNLBPKZOWXYIE-UHFFFAOYSA-N- Molecular formula
- C8H10ClN3
- Average molar mass
- 183.64 g/mol
- Monoisotopic mass
- 183.056325
Names & identifiers
- Preferred name
- 6-Chloro-2-methyl-5-(prop-2-en-1-yl)pyrimidin-4(3H)-imine
- IUPAC
- 6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine
Names & synonyms
85826-34-2DTXSID6010064036-Chloro-2-methyl-5-(prop-2-en-1-yl)pyrimidin-4(3H)-imineRefChem:1073866DTXCID3014332735-allyl-6-chloro-2-methylpyrimidin-4-amineBRN 4987743Oprea1_2816636-Chloro-2-methyl-5-(2-propenyl)-4-pyrimidinamine4-Pyrimidinamine, 6-chloro-2-methyl-5-(2-propenyl)-STK067736AKOS022084230
Show more names
6-chloro-2-methyl-5-(prop-2-en-1-yl)pyrimidin-4-amine
Database identifiers
- CAS
85826-34-2- PubChem CID
- 913023
- DTXSID
DTXSID601006403
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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