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Molecule
Orazamide
CAS: 2574-78-9 · C9H10N6O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2574-78-9
- Molecular Formula
- C9H10N6O5
- Molecular Mass
- 282.22 g/mol
Identifiers
CAS Registry Number
2574-78-9
SMILES
N=C(O)c1nc[nH]c1N.O=C(O)c1cc(O)nc(O)n1
InChI Key
PVCSUEOGEIOUHG-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O4.C4H6N4O/c8-3-1-2(4(9)10)6-5(11)7-3;5-3-2(4(6)9)7-1-8-3/h1H,(H,9,10)(H2,6,7,8,11);1H,5H2,(H2,6,9)(H,7,8)
Names and Synonyms
- Orazamide Synonym
- 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, compd. with 5-amino-1H-imidazole-4-carboxamide (1:1) Synonym
- Orotic acid, compd. with 5-aminoimidazole-4-carboxamide (1:1) Synonym
- Orotic acid, compd. with 5(or 4)-aminoimidazole-4(or 5)-carboxamide Synonym
- 1H-Imidazole-4-carboxamide, 5-amino-, mono(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate) Synonym
- 4-Amino-5-imidazolecarboxamide orotate Synonym
- AICA orotate Synonym
- Ba 2757 Synonym
- Orazamide Synonym
- AICA-hepat Synonym
- Aicamin Synonym
- Orazamid Synonym
- Orazamide orotate Synonym
- 5-Aminoimidazole-4-carboxamide orotate Synonym
- Aicorat Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 282.22 g/mol | CAS Common Chemistry |
| 282.216 g/mol | RDKit | |
| 283.224 g/mol | chempirical lib | |
| Canonical SMILES | O=C(O)C1=CC(=O)NC(=O)N1.O=C(N)C=1NC=NC1N | CAS Common Chemistry |
| InChI | InChI=1S/C5H4N2O4.C4H6N4O/c8-3-1-2(4(9)10)6-5(11)7-3;5-3-2(4(6)9)7-1-8-3/h1H,(H,9,10)(H2,6,7,8,11);1H,5H2,(H2,6,9)(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=PVCSUEOGEIOUHG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 284-285 °C (decomp) | CAS Common Chemistry |
| Name | Orazamide | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 7 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 202.32 Ų | RDKit |
| 185.09 Ų | chempirical lib | |
| LogP | -0.53873 | RDKit |
| -0.5387 | RDKit | |
| Molar Refractivity | 64.7785 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 282.07126742 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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.
External Resources
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MW = 282.22 g/mol. Edit any field — others recompute live.
