- InChI
- InChI=1S/C6H9N3O/c1-3-4(2)8-6(7)9-5(3)10/h1-2H3,(H3,7,8,9,10)
- InChI Key
- APWRLAZEMYLHKZ-UHFFFAOYSA-N
- Formula
- C6H9N3O
- SMILES
- Cc1nc(N)nc(O)c1C
- Molecular Weight1
- 139.16
- CAS
- 3977-23-9
- Other Names
-
- 2-amino-5,6-dimethyl-1H-pyrimidin-4-one
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6308 | Relay (1.0) Calculated Property | |
| ΔfG° | 174.22 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -156.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 110.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.381 | Crippen Calculated Property | |
| McVol | 107.450 | ml/mol | McGowan Calculated Property |
| Pc | 5898.70 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 534.60 | K | Relay (1.0) Calculated Property |
| Tc | 813.61 | K | Relay (1.0) Calculated Property |
| Tfus | 515.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.380 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Amino-6-hydroxy-4,5-dimethylpyrimidine (keto form).
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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