Basic information
- CAS
18694-42-3- Standard SMILES
COc1cc(-n2nc(C)cc2OC)ncn1- InChIKey
KIJMVZOSUXIDEI-UHFFFAOYSA-N- Molecular formula
- C10H12N4O2
- Average molar mass
- 220.23 g/mol
- Monoisotopic mass
- 220.09602564
Overview
induces ulcers; structure given in first source
Names & identifiers
- Preferred name
- Dulcerozine
- IUPAC
- 4-methoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine
- English name
- dulcerozine
- Molecular formula
- C10H12N4O2
- Molecular weight
- 220.23
Names & synonyms
Dulcerozine18694-42-34-methoxy-6-(5-methoxy-3-methyl-1H-pyrazol-1-yl)pyrimidineDTXSID50171956RefChem:135965DTXCID00944474-Methoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidineBRN 07953061-(6-Methoxy-4-pyrimidinyl)-3-methyl-5-methoxypyrazolePyrimidine, 4-methoxy-6-(5-methoxy-3-methyl-1H-pyrazol-1-yl)-5-25-18-00006 (Beilstein Handbook Reference)Pyrimidine, 4-methoxy-6-(5-methoxy-3-methylpyrazol-1-yl)-
Show more names
1-(6-methoxy-4-pyrimidinyl)-3-methyl-5-methoxy pyrazole
Database identifiers
- CAS
18694-42-3- PubChem CID
- 87753
- DTXSID
DTXSID50171956- Nikkaji
- J55.626B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
LogP1.53
Physicochemical properties
- Melting point
- 123 · 123-124 °C
- Boiling point
- 384.7 · 384.7±42.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- -1.29 · -1.29±0.26(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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