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4-Methoxy-N,6-Dimethyl-1,3,5-Triazin-2-Amine
CAS: 5248-39-5 | C6H10N4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5248-39-5
Molecular Formula:
C6H10N4O
Molecular Weight:
154.173 g/mol
Names and Synonyms:
4-Methoxy-N,6-Dimethyl-1,3,5-Triazin-2-Amine
2-Methoxy-4-methyl-6-methylamino-1,3,5-triazine
2-Methyl-4-(methylamino)-6-methoxy-1,3,5-triazine
4-Methoxy-N,6-dimethyl-1,3,5-triazin-2-amine
s-Triazine, 2-methoxy-4-methyl-6-(methylamino)-
1,3,5-Triazin-2-amine, 4-methoxy-N,6-dimethyl-
Identifiers:
SMILES:
CN=c1nc(C)nc(OC)[nH]1
InChI:
InChI=1S/C6H10N4O/c1-4-8-5(7-2)10-6(9-4)11-3/h1-3H3,(H,7,8,9,10)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 154.17 g/mol | Legacy Database |
| cas-canonical-smile | N=1C(=NC(=NC1NC)C)OC | Legacy Database | |
| cas-inchi | InChI=1S/C6H10N4O/c1-4-8-5(7-2)10-6(9-4)11-3/h1-3H3,(H,7,8,9,10) | Legacy Database | |
| cas-inchi-key | InChIKey=MNDSUSQBIDHEJU-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 155-157 °C | Legacy Database | |
| cas-name | 4-Methoxy-N,6-dimethyl-1,3,5-triazin-2-amine | Legacy Database | |
| LogP | -0.34778000000000037 | RDKit | |
| Molecular | Molecular Weight | 154.173 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.08546094 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 63.160000000000004 Ų | RDKit |
| Molar | Molar Refractivity | 39.1587 | RDKit |
