2-Amino-4-phenylpyrimidine 1-oxide
Basic information
- CAS
80830-43-9- Standard SMILES
N=c1nc(-c2ccccc2)ccn1O- InChIKey
YWRVUPYBXNCILR-UHFFFAOYSA-N- Molecular formula
- C10H9N3O
- Average molar mass
- 187.2 g/mol
- Monoisotopic mass
- 187.07456192
Names & identifiers
- Preferred name
- 2-Amino-4-phenylpyrimidine 1-oxide
- IUPAC
- 1-hydroxy-4-phenylpyrimidin-2-imine
- English name
- 2-Amino-4-phenylpyrimidine 1-oxide
- Molecular formula
- C10H9N3O
- Molecular weight
- 187.2
Names & synonyms
80830-43-9MLS0000846392-Amino-4-phenylpyrimidine 1-oxideChemDiv3_0000932-AMINO-4-PHENYLPYRIMIDIN-1-IUM-1-OLATESCHEMBL864957CHEMBL1705140DTXSID301354879HMS1473E05HMS2337G124-phenylpyrimidin-2-amine 1-oxide2-Amino-4-phenylpyrimidin-1-oxide
Show more names
2-Pyrimidinamine, 4-phenyl-, 1-oxide
AKOS001483055IDI1_019411NCGC00043204-02NCGC00043204-03SMR000018987EU-0000037AB00404124-10SR-01000388830
Database identifiers
- CAS
80830-43-9- PubChem CID
- 604485
- DTXSID
DTXSID301354879- ChEMBL
CHEMBL1705140- Nikkaji
- J46.791J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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