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Molecule
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
Identifiers
CAS Registry Number
6642-31-5
SMILES
Cn1c(N)cc(=O)n(C)c1=O
InChI Key
VFGRNTYELNYSKJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H9N3O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,7H2,1-2H3
Names and Synonyms
- 6-Amino-1,3-Dimethyluracil Synonym
- 2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl- Synonym
- Uracil, 6-amino-1,3-dimethyl- Synonym
- 6-Amino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione Synonym
- 6-Amino-1,3-dimethyluracil Synonym
- 1,3-Dimethyl-6-aminouracil Synonym
- 4-Amino-1,3-dimethyluracil Synonym
- 1,3-Dimethyl-4-aminouracil Synonym
- 6-Amino-1,3-dimethyl-2,4-pyrimidinedione Synonym
- NSC 15492 Synonym
- 6-Amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione Synonym
- 4-Amino-1,3-dimethyl-2,6-pyrimidinedione Synonym
- N,N-Dimethyl-6-aminouracil Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 155.16 g/mol | CAS Common Chemistry |
| 155.15699999999998 g/mol | RDKit | |
| 155.157 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 |
| 3 | 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 |
| -1.3338 | RDKit | |
| Molar Refractivity | 41.336400000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 155.069476528 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 155.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H9N3O2.
