Chemical Properties of 2,4(1H,3H)-Pyrimidinedione, 6-amino-1-methyl- (CAS 2434-53-9)

InChI

InChI=1S/C5H7N3O2/c1-8-3(6)2-4(9)7-5(8)10/h2H,6H2,1H3,(H,7,9,10)

InChI Key

GZLZRPNUDBIQBM-UHFFFAOYSA-N

Formula

C5H7N3O2

SMILES

Cn1c(N)cc(=O)[nH]c1=O

Molecular Weight¹

141.13

CAS

2434-53-9

Other Names

• 6-Amino-1-methyl-1H-pyrimidine-2,4-dione
• 6-Amino-1-methyluracil

• C_p,solid : Solid phase heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 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	[166.20; 173.00]	J/mol×K	[298.15; 343.15]
Cp,solid	166.20	J/mol×K	298.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	167.00	J/mol×K	303.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	168.00	J/mol×K	308.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	168.50	J/mol×K	313.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	169.20	J/mol×K	318.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	170.00	J/mol×K	323.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	171.00	J/mol×K	328.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	171.40	J/mol×K	333.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	172.20	J/mol×K	338.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Cp,solid	173.00	J/mol×K	343.15	Molar Heat Capacities of Aminouracils by Differential Scanning Calorimetry
Psub	[2.82e-05; 9.08e-05]	kPa	[456.84; 470.56]
Psub	2.82e-05	kPa	456.84	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	3.19e-05	kPa	458.65	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	3.81e-05	kPa	459.55	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	4.62e-05	kPa	462.22	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	5.01e-05	kPa	463.15	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	5.43e-05	kPa	464.07	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	6.44e-05	kPa	466.07	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	6.38e-05	kPa	466.10	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	7.51e-05	kPa	467.87	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	7.97e-05	kPa	468.75	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	8.60e-05	kPa	469.67	Vapour pressures, molar enthalpies of sublimation, and molar enthalpies of solution in water of selected amino derivatives of uracil and 5-nitrouracil
Psub	9.08e-05	kPa	470.56	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, 6-amino-1-methyl-.

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

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