Basic information
- CAS
55687-76-8- Standard SMILES
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1C(C)=O- InChIKey
RYAPRJDMWXYXKI-UHFFFAOYSA-N- Molecular formula
- C15H18N4O3
- Average molar mass
- 302.33 g/mol
- Monoisotopic mass
- 302.13789045
Names & identifiers
- Preferred name
- Acetophenone, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-
- IUPAC
- 1-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]ethanone
- English name
- 1-[4-[(2,4-Diaminopyrimidine-5-yl)methyl]-2,6-dimethoxyphenyl]ethanone
- Molecular formula
- C15H18N4O3
- Molecular weight
- 302.33
Names & synonyms
55687-76-8BRN 0835414ACETOPHENONE, 4-(2,4-DIAMINO-5-PYRIMIDINYLMETHYL)-2,6-DIMETHOXY-4-(2,4-Diamino-5-pyrimidinylmethyl)-2,6-dimethoxyacetophenoneDTXSID70204215RefChem:316974DTXCID70126706CHEMBL174516SCHEMBL11851191RYAPRJDMWXYXKI-UHFFFAOYSA-N1-{4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl}ethan-1-one4'-[(2,4-diamino-5-pyrimidinyl)-methyl]-2',6'-dimethoxy-acetophenone
Show more names
Famphur Impurity 34'-[(2,4-Diaminopyrimidin-5-yl)methyl]-2',6'-dimethoxyacetophenone1-[4-[(2,4-Diaminopyrimidine-5-yl)methyl]-2,6-dimethoxyphenyl]ethanoneEthanone, 1-[4-[(2,4-diamino-5-pyrimidinyl)methyl]-2,6-dimethoxyphenyl]-
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 368
Experimental & physicochemical properties
LogP0.91
Related reactions
2 records
Compound notes
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