Basic information
- CAS
656809-95-9- Standard SMILES
CCCCCCCOc1cc(Cc2cnc(N)nc2N)ccc1OC- InChIKey
XVRRLCDIHFGWQI-UHFFFAOYSA-N- Molecular formula
- C19H28N4O2
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.22122615
Names & identifiers
- Preferred name
- 5-(3-Heptyloxy-4-methoxy-benzyl)-pyrimidine-2,4-diamine
- IUPAC
- 5-[(3-heptoxy-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
Names & synonyms
CHEMBL324775656809-95-95-(3-Heptyloxy-4-methoxy-benzyl)-pyrimidine-2,4-diamineDTXSID404577765-[(3-heptoxy-4-methoxyphenyl)methyl]pyrimidine-2,4-diamineBDBM501387105-{[3-(HEPTYLOXY)-4-METHOXYPHENYL]METHYL}PYRIMIDINE-2,4-DIAMINE
Database identifiers
- CAS
656809-95-9- PubChem CID
- 11175353
- DTXSID
DTXSID40457776- ChEMBL
CHEMBL324775
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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