Back to Search
6-Aminouracil
CAS: 873-83-6 | C4H5N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
873-83-6
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.103 g/mol
Names and Synonyms:
6-Aminouracil
6-Aminopyrimidine-2,4-diol
6-Aminopyrimidine-2,4(1H,3H)-dione
NSC 7367
NSC 15919
6-Amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidine
4-Amino-2,6-dihydroxypyrimidine
2,4-Dihydroxy-6-aminopyrimidine
4-Aminouracil
6-Amino-2,4-dihydroxypyrimidine
6-Aminouracil
6-Amino-2,4(1H,3H)-pyrimidinedione
Uracil, 6-amino-
2,4(1H,3H)-Pyrimidinedione, 6-amino-
Identifiers:
SMILES:
Nc1cc(O)nc(O)n1
InChI:
InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 127.10 g/mol | Legacy Database |
| cas-canonical-smile | O=C1C=C(N)NC(=O)N1 None | Legacy Database |
| cas-inchi | InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9) None | Legacy Database |
| cas-inchi-key | InChIKey=LNDZXOWGUAIUBG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 310-312 °C None | Legacy Database |
| cas-name | 6-Aminouracil None | Legacy Database |
| LogP | -0.53 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 127.103 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 127.0381764 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 3 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 | 92.26 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.773999999999997 | RDKit |
