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Molecule
2-Amino-4-Chloro-6-Methylpyrimidine
CAS: 5600-21-5 · C5H6ClN3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5600-21-5
- Molecular Formula
- C5H6ClN3
- Molecular Mass
- 143.58 g/mol
Identifiers
CAS Registry Number
5600-21-5
SMILES
Cc1cc(Cl)nc(=N)[nH]1
InChI Key
NPTGVVKPLWFPPX-UHFFFAOYSA-N
InChI
InChI=1S/C5H6ClN3/c1-3-2-4(6)9-5(7)8-3/h2H,1H3,(H2,7,8,9)
Names and Synonyms
- 2-Amino-4-Chloro-6-Methylpyrimidine Synonym
- 2-Pyrimidinamine, 4-chloro-6-methyl- Synonym
- Pyrimidine, 2-amino-4-chloro-6-methyl- Synonym
- 4-Chloro-6-methyl-2-pyrimidinamine Synonym
- 2-Amino-4-chloro-6-methylpyrimidine Synonym
- AM Synonym
- AM (nitrification inhibitor) Synonym
- NSC 23661 Synonym
- NSC 7892 Synonym
- 2-Amino-6-chloro-4-methylpyrimidine Synonym
- 4-Chloro-6-methylpyrimidin-2-ylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.58 g/mol | CAS Common Chemistry |
| 143.57700000000003 g/mol | RDKit | |
| 143.577 g/mol | RDKit | |
| 143.574 g/mol | chempirical lib | |
| Canonical SMILES | ClC=1N=C(N=C(C1)C)N | CAS Common Chemistry |
| InChI | InChI=1S/C5H6ClN3/c1-3-2-4(6)9-5(7)8-3/h2H,1H3,(H2,7,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=NPTGVVKPLWFPPX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 182-183 °C | CAS Common Chemistry |
| Name | 2-Amino-4-chloro-6-methylpyrimidine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.53 Ų | RDKit |
| LogP | 0.8509899999999999 | RDKit |
| 0.851 | RDKit | |
| Molar Refractivity | 34.18939999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 143.025024872 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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60
40
20
0 ppm
| 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 = 143.58 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H6ClN3.
