5-[(4-Methoxyphenyl)methoxy]pyrimidine-2,4-diamine
Basic information
- CAS
651359-35-2- Standard SMILES
COc1ccc(COc2cnc(N)nc2N)cc1- InChIKey
UBPUPPMUXQKNQJ-UHFFFAOYSA-N- Molecular formula
- C12H14N4O2
- Average molar mass
- 246.27 g/mol
- Monoisotopic mass
- 246.1116757
Names & identifiers
- Preferred name
- 5-[(4-Methoxyphenyl)methoxy]pyrimidine-2,4-diamine
- IUPAC
- 5-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine
Names & synonyms
5-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine651359-35-2CHEMBL174679DTXSID803336665-(4-Methoxy-benzyloxy)-pyrimidine-2,4-diamine
Database identifiers
- CAS
651359-35-2- PubChem CID
- 516674
- DTXSID
DTXSID80333666- ChEMBL
CHEMBL174679
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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