Basic information
- CAS
111452-80-3- Standard SMILES
CCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1OC- InChIKey
VAGDNGFPEWKWTL-UHFFFAOYSA-N- Molecular formula
- C18H26N4O2
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.20557608
Names & identifiers
- Preferred name
- 2,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]-
- IUPAC
- 5-[(4-hexoxy-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
Names & synonyms
111452-80-32,4-Pyrimidinediamine, 5-[[4-(hexyloxy)-3-methoxyphenyl]methyl]-SCHEMBL10415804DTXSID803327505-{[4-(HEXYLOXY)-3-METHOXYPHENYL]METHYL}PYRIMIDINE-2,4-DIAMINE5-[(4-Heptoxy-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine5-[(4-hexoxy-3-methoxy-phenyl)methyl]pyrimidine-2,4-diamine
Database identifiers
- CAS
111452-80-3- PubChem CID
- 463113
- DTXSID
DTXSID80332750- Nikkaji
- J1.354.126D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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