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2-Amino-4-Chloro-6-Methylpyrimidine
CAS: 5600-21-5 | C5H6ClN3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5600-21-5
Molecular Formula:
C5H6ClN3
Molecular Mass:
143.58 g/mol
Names and Synonyms:
2-Amino-4-Chloro-6-Methylpyrimidine
2-Pyrimidinamine, 4-chloro-6-methyl-
Pyrimidine, 2-amino-4-chloro-6-methyl-
4-Chloro-6-methyl-2-pyrimidinamine
2-Amino-4-chloro-6-methylpyrimidine
AM
AM (nitrification inhibitor)
NSC 23661
NSC 7892
2-Amino-6-chloro-4-methylpyrimidine
4-Chloro-6-methylpyrimidin-2-ylamine
Identifiers:
SMILES:
Cc1cc(Cl)nc(=N)[nH]1
InChI:
InChI=1S/C5H6ClN3/c1-3-2-4(6)9-5(7)8-3/h2H,1H3,(H2,7,8,9)
Key Properties
Melting Point
182-183 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 143.58 g/mol | CAS Common Chemistry |
| 143.57700000000003 g/mol | RDKit | |
| 143.025024872 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 34.18939999999999 | RDKit |
