2-Amino-6-(3,4,5-tributoxyphenyl)pyrimidin-4(1H)-one
Basic information
- CAS
915398-98-0- Standard SMILES
CCCCOc1cc(-c2cc(=O)[nH]c(N)n2)cc(OCCCC)c1OCCCC- InChIKey
WLYFBADFWOIPIK-UHFFFAOYSA-N- Molecular formula
- C22H33N3O4
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.24710654
Names & identifiers
- Preferred name
- 2-Amino-6-(3,4,5-tributoxyphenyl)pyrimidin-4(1H)-one
- IUPAC
- 2-amino-4-(3,4,5-tributoxyphenyl)-1H-pyrimidin-6-one
Names & synonyms
915398-98-02-Amino-6-(3,4,5-tributoxyphenyl)pyrimidin-4(3H)-one2-Amino-6-(3,4,5-tributoxyphenyl)pyrimidin-4(1H)-oneDTXSID40841934
Database identifiers
- CAS
915398-98-0- PubChem CID
- 136259182
- DTXSID
DTXSID40841934
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 544
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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