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6-Amino-1,3-Dimethyluracil
CAS: 6642-31-5 | C6H9N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6642-31-5
Molecular Formula:
C6H9N3O2
Molecular Mass:
155.16 g/mol
Names and Synonyms:
6-Amino-1,3-Dimethyluracil
2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl-
Uracil, 6-amino-1,3-dimethyl-
6-Amino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
6-Amino-1,3-dimethyluracil
1,3-Dimethyl-6-aminouracil
4-Amino-1,3-dimethyluracil
1,3-Dimethyl-4-aminouracil
6-Amino-1,3-dimethyl-2,4-pyrimidinedione
NSC 15492
6-Amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
4-Amino-1,3-dimethyl-2,6-pyrimidinedione
N,N-Dimethyl-6-aminouracil
Identifiers:
SMILES:
Cn1c(N)cc(=O)n(C)c1=O
InChI:
InChI=1S/C6H9N3O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,7H2,1-2H3
Key Properties
Melting Point
305-307 °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 | 155.16 g/mol | CAS Common Chemistry |
| 155.15699999999998 g/mol | RDKit | |
| 155.069476528 g/mol | RDKit | |
| Canonical SMILES | O=C1C=C(N)N(C(=O)N1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H9N3O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VFGRNTYELNYSKJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 305-307 °C | CAS Common Chemistry |
| Name | 6-Amino-1,3-dimethyluracil | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 70.02 Ų | RDKit |
| LogP | -1.3337999999999992 | RDKit |
| Molar Refractivity | 41.336400000000005 | RDKit |
