Basic information
- CAS
80267-19-2- Standard SMILES
CCCCOc1ccc(Cc2cnc(N)nc2N)cc1OC- InChIKey
CBVOSPUWDDLWCK-UHFFFAOYSA-N- Molecular formula
- C16H22N4O2
- Average molar mass
- 302.37 g/mol
- Monoisotopic mass
- 302.17427596
Names & identifiers
- Preferred name
- 2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)-
- IUPAC
- 5-[(4-butoxy-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
Names & synonyms
2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)-2,4-Diamino-5-(3-methoxy-4-n-butoxybenzyl)pyrimidine5-((4-Butoxy-3-methoxyphenyl)methyl)-2,4-pyrimidinediamine80267-19-2DTXSID80230202RefChem:246913DTXCID40152693CHEMBL3322375-[(4-Butoxy-3-methoxyphenyl)methyl]pyrimidine-2,4-diamineSCHEMBL10488898BDBM502272665-[(4-butoxy-3-methoxy-phenyl)methyl]pyrimidine-2,4-diamine
Database identifiers
- CAS
80267-19-2- PubChem CID
- 463111
- DTXSID
DTXSID80230202- ChEMBL
CHEMBL332237
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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