Back to Search
2-Amino-4-Methylpyrimidine
CAS: 108-52-1 | C5H7N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
108-52-1
Molecular Formula:
C5H7N3
Molecular Mass:
109.13 g/mol
Names and Synonyms:
2-Amino-4-Methylpyrimidine
2-Pyrimidinamine, 4-methyl-
Pyrimidine, 2-amino-4-methyl-
4-Methyl-2-pyrimidinamine
2-Amino-4-methylpyrimidine
6-Methyl-2-pyrimidinamine
4-Methyl-2-aminopyrimidine
2-Amino-6-methylpyrimidine
NSC 1939
Identifiers:
SMILES:
Cc1cc[nH]c(=N)n1
InChI:
InChI=1S/C5H7N3/c1-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)
Key Properties
Melting Point
160.3 °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 | 109.13 g/mol | CAS Common Chemistry |
| 109.132 g/mol | RDKit | |
| 109.06399722399999 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC(=NC1N)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H7N3/c1-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=GHCFWKFREBNSPC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 160.3 °C | CAS Common Chemistry |
| Name | 2-Amino-4-methylpyrimidine | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 0.19759000000000004 | RDKit |
| Molar Refractivity | 29.179399999999998 | RDKit |
