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Molecule
4-Methoxy-N,6-Dimethyl-1,3,5-Triazin-2-Amine
CAS: 5248-39-5 · C6H10N4O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5248-39-5
- Molecular Formula
- C6H10N4O
- Molecular Mass
- 154.17 g/mol
Identifiers
CAS Registry Number
5248-39-5
SMILES
CN=c1nc(C)nc(OC)[nH]1
InChI Key
MNDSUSQBIDHEJU-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N4O/c1-4-8-5(7-2)10-6(9-4)11-3/h1-3H3,(H,7,8,9,10)
Names and Synonyms
- 4-Methoxy-N,6-Dimethyl-1,3,5-Triazin-2-Amine Systematic Name
- 1,3,5-Triazin-2-amine, 4-methoxy-N,6-dimethyl- Synonym
- s-Triazine, 2-methoxy-4-methyl-6-(methylamino)- Synonym
- 4-Methoxy-N,6-dimethyl-1,3,5-triazin-2-amine Synonym
- 2-Methyl-4-(methylamino)-6-methoxy-1,3,5-triazine Synonym
- 2-Methoxy-4-methyl-6-methylamino-1,3,5-triazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.17 g/mol | CAS Common Chemistry |
| 154.173 g/mol | RDKit | |
| Canonical SMILES | N=1C(=NC(=NC1NC)C)OC | CAS Common Chemistry |
| InChI | InChI=1S/C6H10N4O/c1-4-8-5(7-2)10-6(9-4)11-3/h1-3H3,(H,7,8,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=MNDSUSQBIDHEJU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 155-157 °C | CAS Common Chemistry |
| Name | 4-Methoxy-N,6-dimethyl-1,3,5-triazin-2-amine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 63.160000000000004 Ų | RDKit |
| 63.16 Ų | RDKit | |
| 58.31 Ų | chempirical lib | |
| LogP | -0.34778000000000037 | RDKit |
| -0.3478 | RDKit | |
| Molar Refractivity | 39.1587 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 154.08546094 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 154.17 g/mol. Edit any field — others recompute live.
