2-Amino-5-(3-methyl-4-propoxy-benzyl)-pyrimidine-4,6-diol
Basic information
- CAS
332414-25-2- Standard SMILES
CCCOc1ccc(Cc2c(O)nc(N)[nH]c2=O)cc1C- InChIKey
UOTMBYAATCILML-UHFFFAOYSA-N- Molecular formula
- C15H19N3O3
- Average molar mass
- 289.33 g/mol
- Monoisotopic mass
- 289.14264148
Names & identifiers
- Preferred name
- 2-Amino-5-(3-methyl-4-propoxy-benzyl)-pyrimidine-4,6-diol
- IUPAC
- 2-amino-4-hydroxy-5-[(3-methyl-4-propoxyphenyl)methyl]-1H-pyrimidin-6-one
Names & synonyms
332414-25-2ZINC100130052-amino-4-hydroxy-5-[(3-methyl-4-propoxyphenyl)methyl]-1H-pyrimidin-6-one2-Amino-5-(3-methyl-4-propoxy-benzyl)-pyrimidine-4,6-diolCBMicro_029735Oprea1_309064Oprea1_694327MLS001211118CHEMBL1894847DTXSID401332117HMS1678M09HMS2878K06
Show more names
MFCD00847974STK832488AKOS000547808SMR000514248BIM-0029451.P001ZINC000010013005EU-0008616ST50002859
Database identifiers
- CAS
332414-25-2- PubChem CID
- 1901313
- DTXSID
DTXSID401332117- ChEMBL
CHEMBL1894847
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 459
Experimental & physicochemical properties
Solubility15.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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