Chemical Properties of 2,4(1H,3H)-Pyrimidinedione, 5-amino-

InChI

InChI=1S/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9)

InChI Key

BISHACNKZIBDFM-UHFFFAOYSA-N

Formula

C4H5N3O2

SMILES

Nc1c[nH]c(=O)[nH]c1=O

Molecular Weight¹

127.10

Other Names

• 2,4-Dihydroxy-5-aminopyrimidine
• 5-Amino-2,4-dihydroxypyrimidine
• 5-amino-2,4(1H,3H)-pyrimidinedione
• 5-aminouracil
• Uracil, 5-amino-

• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_sub : Sublimation pressure (kPa).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[145.00; 151.30]	J/mol×K	[298.15; 343.15]
Cp,solid	145.00	J/mol×K	298.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	145.50	J/mol×K	303.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	146.20	J/mol×K	308.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	147.00	J/mol×K	313.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	148.00	J/mol×K	318.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	148.40	J/mol×K	323.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	149.10	J/mol×K	328.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	150.00	J/mol×K	333.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	150.60	J/mol×K	338.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	151.30	J/mol×K	343.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Psub	[1.94e-05; 9.97e-05]	kPa	[433.11; 453.10]
Psub	1.94e-05	kPa	433.11	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	2.07e-05	kPa	433.16	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	2.56e-05	kPa	436.70	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	3.33e-05	kPa	438.65	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	3.89e-05	kPa	440.48	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	4.79e-05	kPa	442.32	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	5.23e-05	kPa	444.14	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	5.37e-05	kPa	445.07	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	6.02e-05	kPa	445.96	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	5.71e-05	kPa	445.97	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	6.66e-05	kPa	447.76	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	9.97e-05	kPa	453.10	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil

Similar Compounds

Find more compounds similar to 2,4(1H,3H)-Pyrimidinedione, 5-amino-.

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
• Experimental study on the thermochemistry of some amino derivatives of uracil
• Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
• Molar Heat Capacities of Aminouracils by Differential 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.
These property values are available through the Cheméo API. A free account gives you an access key.