- InChI
- InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
- InChI Key
- OPTASPLRGRRNAP-UHFFFAOYSA-N
- Formula
- C4H5N3O
- SMILES
- Nc1cc[nH]c(=O)n1
- Molecular Weight1
- 111.10
- Other Names
-
- 4-Amino-2(1H)pyrimidone
- 4-Amino-2-oxypyrimidine
- 4-amino-2(1H)-pyrimidinone
- 4-amino-2-hydroxypyrimidine
- Cyt
- cytosine
- cytosinimine
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -1.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | -1.130 | Crippen Calculated Property | |
| McVol | 79.270 | ml/mol | McGowan Calculated Property |
| Tfus | 607.00 | K | Melting temperature and heat of fusion of cytosine revealed from fast scanning calorimetry |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Similar Compounds
Find more compounds similar to 2(1H)-Pyrimidinone, 4-amino-.
Mixtures
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
- Volumetric interaction coefficients for some nucleosides in aqueous solution at T= 298.15 K
- Volumetric studies on nucleic acid bases and nucleosides in aqueous guanidine hydrochloride solutions at T = (288.15 to 318.15) K and at atmospheric pressure
- Solvation behavior of some nucleic acid bases and nucleosides in water and in aqueous guanidine hydrochloride solutions: Viscometric, calorimetric and spectroscopic approach
- Melting temperature and heat of fusion of cytosine revealed from fast scanning calorimetry
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.