Back to Search
5-(Hydroxymethyl)Uracil
CAS: 4433-40-3 | C5H6N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4433-40-3
Molecular Formula:
C5H6N2O3
Molecular Mass:
142.11 g/mol
Names and Synonyms:
5-(Hydroxymethyl)Uracil
2,4(1H,3H)-Pyrimidinedione, 5-(hydroxymethyl)-
Uracil, 5-(hydroxymethyl)-
5-(Hydroxymethyl)-2,4(1H,3H)-pyrimidinedione
5-(Hydroxymethyl)uracil
α-Hydroxythymine
NSC 20901
5-(Hydroxymethyl)-1,3-dihydropyrimidine-2,4-dione
5-Hydroxymethyl-1H-pyrimidine-2,4-dione
Identifiers:
SMILES:
OCc1cnc(O)nc1O
InChI:
InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)
Key Properties
Melting Point
195-200 °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 | 142.11 g/mol | CAS Common Chemistry |
| 142.114 g/mol | RDKit | |
| 142.037842052 g/mol | RDKit | |
| Canonical SMILES | O=C1NC=C(C(=O)N1)CO | CAS Common Chemistry |
| InChI | InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=JDBGXEHEIRGOBU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 195-200 °C | CAS Common Chemistry |
| Name | 5-(Hydroxymethyl)uracil | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 86.47000000000001 Ų | RDKit |
| LogP | -0.6199000000000001 | RDKit |
| Molar Refractivity | 31.28439999999999 | RDKit |
