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65316-39-4

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Basic Information
CAS No.: 65316-39-4
Name: 6-(2-FUROYLAMINO)PURINE
Article Data: 7
Molecular Structure:
Molecular Structure of 65316-39-4 (6-(2-FUROYLAMINO)PURINE)
Formula: C10H7N5O2
Molecular Weight: 229.198
Synonyms: 2-Furamide,N-purin-6-yl- (6CI);2-Furancarboxamide, N-1H-purin-6-yl- (9CI);
Density: 1.6 g/cm3
Melting Point: 209-210 °C
Boiling Point: 430.2 °C at 760 mmHg
Flash Point: 214 °C
PSA: 96.70000
LogP: 1.27120
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Specification

The 2-Furancarboxamide, N-9H-purin-6-yl-, with the CAS registry number 65316-39-4, is also known as N-(9H-Purin-6-yl)-2-furamide. This chemical's molecular formula is C10H7N5O2 and molecular weight is 229.19. What's more, its systematic name is N-(3H-Purin-6-yl)furan-2-carboxamide.

Physical properties about 2-Furancarboxamide, N-9H-purin-6-yl- are: (1)ACD/LogP: -0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.28; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 5.53; (6)ACD/BCF (pH 7.4): 3.12; (7)ACD/KOC (pH 5.5): 117.85; (8)ACD/KOC (pH 7.4): 66.59; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 77.05 Å2; (13)Index of Refraction: 1.772; (14)Molar Refractivity: 59.67 cm3; (15)Molar Volume: 143.2 cm3; (16)Polarizability: 23.65×10-24 cm3; (17)Surface Tension: 94.7 dyne/cm; (18)Density: 1.6 g/cm3; (19)Flash Point: 214 °C; (20)Enthalpy of Vaporization: 68.56 kJ/mol; (21)Boiling Point: 430.2 °C at 760 mmHg; (22)Vapour Pressure: 1.32E-07 mmHg at 25 °C.

Preparation of 2-Furancarboxamide, N-9H-purin-6-yl-: this chemical is prepared by reaction of Furan-2-carbonyl chloride with 7(9)H-Purin-6-ylamine. The reaction needs reagent Pyridine. The reaction time is 5 hours with reaction temperature of 130 °C. The yield is about 76 %.

The 2-Furancarboxamide, N-9H-purin-6-yl- can be obtained by Furan-2-carbonyl chloride and 7(9)H-Purin-6-ylamine.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ncnc2ncnc12)c3occc3
(2) InChI: InChI=1/C10H7N5O2/c16-10(6-2-1-3-17-6)15-9-7-8(12-4-11-7)13-5-14-9/h1-5H,(H2,11,12,13,14,15,16)
(3) InChIKey: ZJIIXWGMVBZOMI-UHFFFAOYAZ