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41398-85-0

Basic Information
CAS No.: 41398-85-0
Name: 2-Hydroxy-5-methylpyrimidine
Article Data: 1
Molecular Structure:
Molecular Structure of 41398-85-0 (2-Hydroxy-5-methylpyrimidine)
Formula: C5H6N2O
Molecular Weight: 110.115
Synonyms: 5-Methyl-2-pyrimidinone;5-Methyl-2-pyrimidone;5-Methylpyrimidin-2(1H)-one;
Density: 1.22 g/cm3
Melting Point: 211oC
Boiling Point: 309.1 °C at 760 mmHg
Flash Point: 140.8 °C
PSA: 46.01000
LogP: 0.49060
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Specification

The CAS register number of 2(1H)-Pyrimidinone,5-methyl- is 41398-85-0. It also can be called as 5-Methylpyrimidin-2(1H)-one and the IUPAC name about this chemical is 5-methyl-1H-pyrimidin-2-one. The molecular formula about this chemical is C5H6N2O and the molecular weight is 110.11394. It belongs to the Pyrimidine.

Physical properties about 2(1H)-Pyrimidinone,5-methyl- are: (1)ACD/LogP: -1.03; (2)ACD/LogD (pH 5.5): -1.03; (3)ACD/LogD (pH 7.4): -1.03; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.55; (7)ACD/KOC (pH 7.4): 6.56; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 32.67Å2; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 29.8 cm3; (13)Molar Volume: 89.9 cm3; (14)Polarizability: 11.81x10-24cm3; (15)Surface Tension: 42.8 dyne/cm; (16)Enthalpy of Vaporization: 57.18 kJ/mol; (17)Boiling Point: 309.1 °C at 760 mmHg; (18)Vapour Pressure: 0.000357 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/N=C\C(=C/N1)C
(2)InChI: InChI=1/C5H6N2O/c1-4-2-6-5(8)7-3-4/h2-3H,1H3,(H,6,7,8)
(3)InChIKey: UAQOYBJXXMLVQI-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C5H6N2O/c1-4-2-6-5(8)7-3-4/h2-3H,1H3,(H,6,7,8)
(5)Std. InChIKey: UAQOYBJXXMLVQI-UHFFFAOYSA-N