Basic information
- CAS
501657-66-5- Standard SMILES
Cc1nc(N)nc(Cl)c1CCCc1ccccc1- InChIKey
KYVHJFUQVXEYQS-UHFFFAOYSA-N- Molecular formula
- C14H16ClN3
- Average molar mass
- 261.75 g/mol
- Monoisotopic mass
- 261.1032752
Names & identifiers
- Preferred name
- 2-Pyrimidinamine, 4-chloro-6-methyl-5-(3-phenylpropyl)-
- IUPAC
- 4-chloro-6-methyl-5-(3-phenylpropyl)pyrimidin-2-amine
Names & synonyms
2-Pyrimidinamine, 4-chloro-6-methyl-5-(3-phenylpropyl)-501657-66-5NSC2105314-chloro-6-methyl-5-(3-phenylpropyl)pyrimidin-2-amineDTXSID90308986NSC-210531
Database identifiers
- CAS
501657-66-5- PubChem CID
- 308668
- DTXSID
DTXSID90308986
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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