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6-Amino-1-Methyluracil
CAS: 2434-53-9 | C5H7N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2434-53-9
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.12999999999997 g/mol
Names and Synonyms:
6-Amino-1-Methyluracil
2,4(1H,3H)-Pyrimidinedione, 6-amino-1-methyl-
Uracil, 6-amino-1-methyl-
6-Amino-1-methyl-2,4(1H,3H)-pyrimidinedione
1-Methyl-6-aminouracil
6-Amino-1-methyluracil
6-Amino-1-methyl-1H-pyrimidine-2,4-dione
NSC 7369
Identifiers:
SMILES:
Cn1c(N)cc(O)nc1=O
InChI:
InChI=1S/C5H7N3O2/c1-8-3(6)2-4(9)7-5(8)10/h2H,6H2,1H3,(H,7,9,10)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 141.12999999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 141.053826464 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 81.13999999999999 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.9319 | RDKit |
| molecular_mass | 141.13 g/mol | Legacy Database |
| cas-canonical-smile | O=C1C=C(N)N(C(=O)N1)C None | Legacy Database |
| cas-inchi | InChI=1S/C5H7N3O2/c1-8-3(6)2-4(9)7-5(8)10/h2H,6H2,1H3,(H,7,9,10) None | Legacy Database |
| cas-inchi-key | InChIKey=GZLZRPNUDBIQBM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 306-307 °C None | Legacy Database |
| cas-name | 6-Amino-1-methyluracil None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.5552 | RDKit |
