Basic information
- CAS
6299-21-4- Standard SMILES
Cc1cc(SCc2ccccc2Cl)nc(N)n1- InChIKey
VXEJJNKCPISIMQ-UHFFFAOYSA-N- Molecular formula
- C12H12ClN3S
- Average molar mass
- 265.76 g/mol
- Monoisotopic mass
- 265.0440463
Names & identifiers
- Preferred name
- 4-{[(2-Chlorophenyl)methyl]sulfanyl}-6-methylpyrimidin-2-amine
- IUPAC
- 4-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-2-amine
- English name
- 4-[(2-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-2-amine
- Molecular formula
- C12H12ClN3S
- Molecular weight
- 265.76
Names & synonyms
6299-21-4NSC44554DTXSID102862724-{[(2-Chlorophenyl)methyl]sulfanyl}-6-methylpyrimidin-2-amineNSC-445542-Pyrimidinamine, 4-[[(2-chlorophenyl)methyl]thio]-6-methyl-4-[(2-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-2-amine
Database identifiers
- CAS
6299-21-4- PubChem CID
- 239463
- DTXSID
DTXSID10286272
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 242
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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