Basic information
- CAS
685106-65-4- Standard SMILES
Nc1nccc(-c2ccc3c(c2)OCO3)n1- InChIKey
TYPNCFKVEIHZOY-UHFFFAOYSA-N- Molecular formula
- C11H9N3O2
- Average molar mass
- 215.21 g/mol
- Monoisotopic mass
- 215.06947654
Names & identifiers
- Preferred name
- 4-(1,3-Benzodioxol-5-yl)pyrimidin-2-amine
- IUPAC
- 4-(1,3-benzodioxol-5-yl)pyrimidin-2-amine
- English name
- 4-(1,3-BENZODIOXOL-5-YL)-2-PYRIMIDINAMINE
- Molecular formula
- C11H9N3O2
- Molecular weight
- 215.21
Names & synonyms
685106-65-44-(1,3-benzodioxol-5-yl)pyrimidin-2-amine4-(1,3-benzodioxol-5-yl)-2-pyrimidinamine4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-amine4-(benzo[d][1,3]dioxol-5-yl)pyrimidin-2-amineMFCD03617335STL198017AKOS000123965CCG-303708CS-03313654T-02234-(1,3-BENZODIOXOL-5-YL)-2-PYRIMIDINYLAMINE
Show more names
2-Pyrimidinamine, 4-(1,3-benzodioxol-5-yl)-
Database identifiers
- CAS
685106-65-4- PubChem CID
- 1477767
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 473.3 · 473.3±55.0 °C(Predicted)
- Density
- 1.391 · 1.391±0.06 g/cm3(Predicted)
- pka
- 3.82 · 3.82±0.10(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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