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351002-16-9

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Basic Information
CAS No.: 351002-16-9
Name: 4H-Pyrido[1,2-a]pyrimidin-4-one, 9-bromo-7-methyl-2-(4-morpholinyl)-
Article Data: 7
Molecular Structure:
Molecular Structure of 351002-16-9 (4H-Pyrido[1,2-a]pyrimidin-4-one, 9-bromo-7-methyl-2-(4-morpholinyl)-)
Formula: C13H14BrN3O2
Molecular Weight: 324.177
Synonyms: 7-Methyl-2-(4-morpholinyl)-9-bromopyrido[1,2-a]pyrimidin-4-one;9-Bromo-7-methyl-2-(morpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one;TGX 066;
Density: 1.63 g/cm3
Boiling Point: 447.3 °C at 760 mmHg
Flash Point: 224.3 °C
PSA: 46.84000
LogP: 1.66700
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Specification

The CAS register number of 9-Bromo-7-methyl-2-(4-morpholinyl)-4H-pyrido[1,2-a]pyrimidin-4-one is 351002-16-9. It also can be called as 4H-Pyrido[1,2-a]pyrimidin-4-one,9-bromo-7-methyl-2-(4-morpholinyl)- and the systematic name about this chemical is 9-bromo-7-methyl-2-morpholin-4-yl-4H-pyrido[1,2-a]pyrimidin-4-one. The molecular formula about this chemical is C13H14BrN3O2 and the molecular weight is 324.17. It belongs to the Drug Intermediates.

Physical properties about 9-Bromo-7-methyl-2-(4-morpholinyl)-4H-pyrido[1,2-a]pyrimidin-4-one are: (1)ACD/LogP: 1.83; (2)ACD/LogD (pH 5.5): 1.83; (3)ACD/LogD (pH 7.4): 1.83; (4)ACD/BCF (pH 5.5): 14.45; (5)ACD/BCF (pH 7.4): 14.45; (6)ACD/KOC (pH 5.5): 235.44; (7)ACD/KOC (pH 7.4): 235.45; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.14Å2; (11)Index of Refraction: 1.685; (12)Molar Refractivity: 75.38 cm3; (13)Molar Volume: 198.1 cm3; (14)Polarizability: 29.88x10-24cm3; (15)Surface Tension: 55.4 dyne/cm; (16)Enthalpy of Vaporization: 70.56 kJ/mol; (17)Boiling Point: 447.3 °C at 760 mmHg; (18)Vapour Pressure: 3.39E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C/C3=C/N1C(=N/C(=C\C1=O)N2CCOCC2)C(/Br)=C3
(2)InChI: InChI=1/C13H14BrN3O2/c1-9-6-10(14)13-15-11(7-12(18)17(13)8-9)16-2-4-19-5-3-16/h6-8H,2-5H2,1H3
(3)InChIKey: CUSBPCYPCUDPSC-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C13H14BrN3O2/c1-9-6-10(14)13-15-11(7-12(18)17(13)8-9)16-2-4-19-5-3-16/h6-8H,2-5H2,1H3
(5)Std. InChIKey: CUSBPCYPCUDPSC-UHFFFAOYSA-N