4-methoxy-5H-pyrrolo[3,2-d]pyrimidine
Basic information
- CAS
144216-57-9- Standard SMILES
COc1ncnc2cc[nH]c12- InChIKey
LUSAOPJMFGKLTG-UHFFFAOYSA-N- Molecular formula
- C7H7N3O
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.05891186
Names & identifiers
- Preferred name
- 4-methoxy-5H-pyrrolo[3,2-d]pyrimidine
- IUPAC
- 4-methoxy-5H-pyrrolo[3,2-d]pyrimidine
- English name
- 5H-Pyrrolo[3,2-d]pyrimidine, 4-methoxy- (9CI)
- Molecular formula
- C7H7N3O
- Molecular weight
- 149.15
Names & synonyms
4-methoxy-5H-pyrrolo[3,2-d]pyrimidine144216-57-95H-Pyrrolo[3,2-d]pyrimidine, 4-methoxy- (9CI)MFCD12924029DTXSID20440262SCHEMBL15612939AKOS0063555204-Methoxy-5H-pyrrolo[32-d]pyrimidineSY3343705H-Pyrrolo[3,2-d]pyrimidine, 4-methoxy-DB-295451F97452
Show more names
F906184
Database identifiers
- CAS
144216-57-9- PubChem CID
- 10464488
- DTXSID
DTXSID20440262- Nikkaji
- J524.005K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Boiling point
- 326.8 · 326.8±22.0 °C(Predicted)
- Density
- 1.327 · 1.327±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.65 · 12.65±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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