4-Methoxy-1,5,6,7-tetrahydropyrido[2,3-d]pyrimidine
Basic information
- CAS
3649-41-0- Standard SMILES
COc1ncnc2c1CCCN2- InChIKey
TYLGVKFWJBBFDH-UHFFFAOYSA-N- Molecular formula
- C8H11N3O
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.09021198
Names & identifiers
- Preferred name
- 4-Methoxy-1,5,6,7-tetrahydropyrido[2,3-d]pyrimidine
- IUPAC
- 4-methoxy-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
Names & synonyms
DTXSID1012236044-Methoxy-1,5,6,7-tetrahydropyrido[2,3-d]pyrimidine5,6,7,8-Tetrahydro-4-methoxypyrido[2,3-d]pyrimidine3649-41-0
Database identifiers
- CAS
3649-41-0- PubChem CID
- 84652124
- DTXSID
DTXSID101223604
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
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Compound notes
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