n-(3-Chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine
Basic information
- CAS
6951-19-5- Standard SMILES
CSc1ncc(SC)c(Nc2ccc(C)c(Cl)c2)n1- InChIKey
VPLOQWZNSDDBMH-UHFFFAOYSA-N- Molecular formula
- C13H14ClN3S2
- Average molar mass
- 311.9 g/mol
- Monoisotopic mass
- 311.0317675
Names & identifiers
- Preferred name
- n-(3-Chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine
- IUPAC
- N-(3-chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amine
Names & synonyms
NSC546636951-19-5n-(3-chloro-4-methylphenyl)-2,5-bis(methylsulfanyl)pyrimidin-4-amineNCIOpen2_007310DTXSID30288192NSC-54663(2,5-Bis-methylsulfanyl-pyrimidin-4-yl)-(3-chloro-4-methyl-phenyl)-amineN-(3-CHLORO-4-METHYL-PHENYL)-2,5-BIS(METHYLSULFANYL)PYRIMIDIN-4-AMINE
Database identifiers
- CAS
6951-19-5- PubChem CID
- 244102
- DTXSID
DTXSID30288192
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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