4-(4-Methoxyphenyl)-5-[(methylsulfanyl)methyl]pyrimidin-2-amine
Basic information
- CAS
61541-69-3- Standard SMILES
COc1ccc(-c2nc(N)ncc2CSC)cc1- InChIKey
YZWWJJPIUVGSEB-UHFFFAOYSA-N- Molecular formula
- C13H15N3OS
- Average molar mass
- 261.34 g/mol
- Monoisotopic mass
- 261.09358328
Names & identifiers
- Preferred name
- 4-(4-Methoxyphenyl)-5-[(methylsulfanyl)methyl]pyrimidin-2-amine
- IUPAC
- 4-(4-methoxyphenyl)-5-(methylsulfanylmethyl)pyrimidin-2-amine
Names & synonyms
61541-69-3NSC248026DTXSID603119424-(4-Methoxyphenyl)-5-[(methylsulfanyl)methyl]pyrimidin-2-amineNSC-248026
Database identifiers
- CAS
61541-69-3- PubChem CID
- 317237
- DTXSID
DTXSID60311942
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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