5H-Pyrrolo(3,2-d)pyrimidin-4-amine, N-(p-methoxyphenyl)-
Basic information
- CAS
84905-69-1- Standard SMILES
COc1ccc(Nc2ncnc3cc[nH]c23)cc1- InChIKey
MQCDBQRXSULGGB-UHFFFAOYSA-N- Molecular formula
- C13H12N4O
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.10111102
Names & identifiers
- Preferred name
- 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, N-(p-methoxyphenyl)-
- IUPAC
- N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
- English name
- 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, N-(p-methoxyphenyl)-
- Molecular formula
- C13H12N4O
- Molecular weight
- 240.26
Names & synonyms
84905-69-15H-Pyrrolo(3,2-d)pyrimidin-4-amine, N-(p-methoxyphenyl)-4-p-Methoxyphenylaminopyrrolo(3,2-d)pyrimidineN-(p-Methoxyphenyl)-5H-pyrrolo(3,2-d)pyrimidin-4-amineDTXSID002339574-p-methoxyphenylaminopyrrolo[3,2-d]pyrimidineRefChem:305817DTXCID30156448N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amineSCHEMBL4544688AH-262/08798010N-(4-methoxyphenyl)-N-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)amine
Show more names
5H-Pyrrolo[3,2-d]pyrimidin-4-amine, N-(4-methoxyphenyl)-
Database identifiers
- CAS
84905-69-1- PubChem CID
- 5747166
- DTXSID
DTXSID00233957
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- EWG's Food Scores
- 1 · 1
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Compound notes
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