4-Methoxytriamterene
Basic information
- CAS
5113-30-4- Standard SMILES
COc1ccc(-c2nc3c(N)nc(N)nc3nc2N)cc1- InChIKey
XXFIGLAYTZCDPY-UHFFFAOYSA-N- Molecular formula
- C13H13N7O
- Average molar mass
- 283.29 g/mol
- Monoisotopic mass
- 283.11815806
Overview
active metabolite of triamterene
Names & identifiers
- Preferred name
- 4-Methoxytriamterene
- IUPAC
- 6-(4-methoxyphenyl)pteridine-2,4,7-triamine
- English name
- 4-methoxytriamterene
- Molecular formula
- C13H13N7O
- Molecular weight
- 283.29
Names & synonyms
4-Methoxytriamterene5113-30-4para-MethoxytriamtereneDTXSID10199151RefChem:99679DTXCID401216426-(4-methoxyphenyl)pteridine-2,4,7-triamine2,4,7-Pteridinetriamine,6-(4-methoxyphenyl)-2,4,7-Pteridinetriamine, 6-(4-methoxyphenyl)-SCHEMBL11372127AKOS040764476AU-059/43522154
Database identifiers
- CAS
5113-30-4- PubChem CID
- 160774
- DTXSID
DTXSID10199151- Nikkaji
- J362.971F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Experimental & physicochemical properties
LogP1.19
Physicochemical properties
- Melting point
- 328 °C · 328 °C
- Boiling point
- 594.2 · 594.2±60.0 °C(Predicted)
- Density
- 1.471 · 1.471±0.06 g/cm3(Predicted)
- pka
- 6.35 · 6.35±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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