2-Amino-4-ethylamino-6-methoxy-s-triazine
Basic information
- CAS
30360-56-6- Standard SMILES
CCNc1nc(N)nc(OC)n1- InChIKey
MZOHHVOQVUFCIY-UHFFFAOYSA-N- Molecular formula
- C6H11N5O
- Average molar mass
- 169.19 g/mol
- Monoisotopic mass
- 169.09635999
Names & identifiers
- Preferred name
- 2-Amino-4-ethylamino-6-methoxy-s-triazine
- IUPAC
- 2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
- English name
- Atraton-desisopropyl
- Molecular formula
- C6H11N5O
- Molecular weight
- 169.18
Names & synonyms
30360-56-62-Amino-4-ethylamino-6-methoxy-s-triazineUNII-4439B0M0EVs-Triazine, 2-amino-4-(ethylamino)-6-methoxy-1,3,5-Triazine-2,4-diamine, N-ethyl-6-methoxy-2-AMINO-4-(ETHYLAMINO)-6-METHOXY-S-TRIAZINE2-Methoxy-4-amino-6-ethylamino-s-triazine4439B0M0EV1,3,5-Triazine-2,4-diamine, N2-ethyl-6-methoxy-DTXSID40184439RefChem:85196DTXCID00106930
Show more names
G-31709Deisopropyl atratonDESISOPROPYLATRATONAdefovir Impurity 11 Potassium SaltATRATON-DESISOPROPYL PESTANAL, 250 MGN-Ethyl-6-methoxy-1,3,5-triazine-2,4-diamine2-amino-4-ethylamino-6-methoxy-1,3,5-triazine
Atraton-desisopropyl2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamineSCHEMBL2492882MZOHHVOQVUFCIY-UHFFFAOYSA-NAKOS006281408DB-082351G 31709N~2~-Ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
30360-56-6- PubChem CID
- 35107
- DTXSID
DTXSID40184439- UNII
- 4439B0M0EV
- Nikkaji
- J113.313F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
LogP0.83
Physicochemical properties
- Boiling point
- 365.9 · 365.9±25.0 °C(Predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- Flash point
- 100 °C · 100 °C
- pka
- 4.55 · 4.55±0.10(Predicted)
- FDA UNII
- 4439 B0M0EV · 4439B0M0EV
Chemistry & industry
Applications
UsesDesisopropylatraton-d3 (Atraton-desisopropyl-d3) is deuterium labeled N2-Ethyl-6-methoxy-1,3,5-triazine-2,4-diamine[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…