CAS No.6940-45-0,2-AMINO-6-HYDROXY-5-(B-HYDROXYETHYL)-4-METHYLPYRIMIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6940-45-0
Name:	2-AMINO-6-HYDROXY-5-(B-HYDROXYETHYL)-4-METHYLPYRIMIDINE
Article Data:	6

Formula:	C₇H₁₁N₃O₂
Molecular Weight:	169.18
Synonyms:	4(1H)-Pyrimidinone,2-amino-5-(2-hydroxyethyl)-6-methyl- (9CI);5-Pyrimidineethanol,2-amino-4-hydroxy-6-methyl- (7CI);NSC 60130;2-Amino-5-(2-hydroxyethyl)-6-methylpyrimidin-4-ol;2-Amino-5-(2-hydroxy-ethyl)-6-methyl-3H-pyrimidin-4-one;
Density:	1.45 g/cm³
Boiling Point:	344.9 °C at 760 mmHg
Flash Point:	162.4 °C
PSA:	92.26000
LogP:	0.18880

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Specification

The CAS register number of 4(3H)-Pyrimidinone,2-amino-5-(2-hydroxyethyl)-6-methyl- is 6940-45-0. It also can be called as 2-Amino-5-(2-hydroxy-ethyl)-6-methyl-3H-pyrimidin-4-one and the systematic name about this chemical is 2-amino-5-(2-hydroxyethyl)-6-methylpyrimidin-4(1H)-one. The molecular formula about this chemical is C₇H₁₁N₃O₂ and the molecular weight is 169.18.

Physical properties about 4(3H)-Pyrimidinone,2-amino-5-(2-hydroxyethyl)-6-methyl- are: (1)ACD/LogP: -0.62; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 10.61; (5)ACD/KOC (pH 7.4): 10.87; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 45.14Å²; (10)Index of Refraction: 1.636; (11)Molar Refractivity: 41.79 cm³; (12)Molar Volume: 116.5 cm³; (13)Polarizability: 16.56x10^-24cm³; (14)Surface Tension: 57 dyne/cm; (15)Enthalpy of Vaporization: 68.21 kJ/mol; (16)Boiling Point: 344.9 °C at 760 mmHg; (17)Vapour Pressure: 4.04E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-acetyl-dihydro-furan-2-one and guanidine; carbonate (2:1) at heating. This reaction is a kind of cyclocondensation. This reaction will need reagent Et₃N and solvent ethanol. The reaction time is 5 hour(s). The yield is about 69%.

Uses of 4(3H)-Pyrimidinone,2-amino-5-(2-hydroxyethyl)-6-methyl-: it can be used to produce 4-chloro-5-(2-chloro-ethyl)-6-methyl-pyrimidin-2-ylamine at temperature of 110 ℃. This reaction is a kind of Chlorination. It will need reagent POCl₃ with reaction time of 2 hours. The yield is about 68%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1/N=C(\N\C(=C\1CCO)C)N
(2)InChI: InChI=1/C7H11N3O2/c1-4-5(2-3-11)6(12)10-7(8)9-4/h11H,2-3H2,1H3,(H3,8,9,10,12)
(3)InChIKey: OJXFZYFYTJJGFU-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H11N3O2/c1-4-5(2-3-11)6(12)10-7(8)9-4/h11H,2-3H2,1H3,(H3,8,9,10,12)
(5)Std. InChIKey: OJXFZYFYTJJGFU-UHFFFAOYSA-N