2-Amino-6-ethoxypyrimidin-4(3H)-one
Basic information
- CAS
42956-82-1- Standard SMILES
CCOc1cc(=O)[nH]c(N)n1- InChIKey
NVDWYIQHHIQUCK-UHFFFAOYSA-N- Molecular formula
- C6H9N3O2
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.06947654
Names & identifiers
- Preferred name
- 2-Amino-6-ethoxypyrimidin-4(3H)-one
- IUPAC
- 2-amino-4-ethoxy-1H-pyrimidin-6-one
- English name
- 2-Amino-6-ethoxypyrimidin-4(1H)-one
- Molecular formula
- C6H9N3O2
- Molecular weight
- 155.15
Names & synonyms
2-Amino-6-ethoxypyrimidin-4(3H)-one42956-82-1DTXSID80343129RefChem:255816DTXCID402942092-Amino-6-ethoxypyrimidin-4(1H)-one4(1H)-Pyrimidinone, 2-amino-6-ethoxy-NVDWYIQHHIQUCK-UHFFFAOYSA-N2-Amino-6-ethoxy-4-pyrimidinol #4(3H)-Pyrimidinone, 2-amino-6-ethoxy-
Database identifiers
- CAS
42956-82-1- PubChem CID
- 587657
- DTXSID
DTXSID80343129- Nikkaji
- J139.754K
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 232
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Compound notes
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