Basic information
- CAS
60722-75-0- Standard SMILES
Nc1cc(OCc2ccccc2)ncn1- InChIKey
LJFMBBBQPOGBHY-UHFFFAOYSA-N- Molecular formula
- C11H11N3O
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.09021197
Names & identifiers
- Preferred name
- 6-(Benzyloxy)pyrimidin-4-amine
- IUPAC
- 6-phenylmethoxypyrimidin-4-amine
- English name
- 6-(Benzyloxy)pyrimidin-4-amine
- Molecular formula
- C11H11N3O
- Molecular weight
- 201.22
Names & synonyms
6-(benzyloxy)pyrimidin-4-amine60722-75-06-phenylmethoxypyrimidin-4-amineF1967-1385NSC2116096-benzyloxypyrimidin-4-amineSCHEMBL3665086CHEMBL3273659DTXSID703092796-(benzyloxy)-4-pyrimidinylamineLJFMBBBQPOGBHY-UHFFFAOYSA-NSMSSF-0533031
Show more names
4-Amino-6-benzyloxypyrimidine4-Pyrimidinamine, 6-(phenylmethoxy)-
AKOS019427867NSC-211609DB-169337F520747
Database identifiers
- CAS
60722-75-0- PubChem CID
- 309338
- DTXSID
DTXSID70309279- ChEMBL
CHEMBL3273659
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 402.5 · 402.5±30.0 °C(Predicted)
- Density
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- pka
- 4.07 · 4.07±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-Amino-6-benzyloxypyrimidine can be used to synthesize inhibitors of deoxycytidine kinase.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
2 records
Compound notes
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