Basic information
- Standard SMILES
Cc1nc(N)nc(N)c1C=CC(C)(C)c1ccc(Cl)cc1- InChIKey
XZNLCSHBZVMZOG-UHFFFAOYSA-N- Molecular formula
- C16H19ClN4
- Average molar mass
- 302.8 g/mol
Names & identifiers
- Preferred name
- 2,4-Diamino-6-methyl-5-[3-(4-chlorophenyl)-3-methyl-1-butenyl]pyrimidine
- IUPAC
- 5-[3-(4-chlorophenyl)-3-methylbut-1-enyl]-6-methylpyrimidine-2,4-diamine
Names & synonyms
SCHEMBL8585242XZNLCSHBZVMZOG-UHFFFAOYSA-N2,4-diamino-6-methyl-5-[3-(4-chlorophenyl)-3-methyl-1-butenyl]pyrimidine
Database identifiers
- PubChem CID
- 1214841
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Related reactions
3 records
Compound notes
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