Pyrrolo[2,3-d]pyrimidin-4-ol supplier

Name
Pyrrolo[2,3-d]pyrimidin-4-ol
EINECS 640-613-6
CAS No. 3680-71-5
Article Data37
CAS DataBase
Density 1.62 g/cm³
Solubility
Melting Point 345-348 °C
Formula C₆H₅N₃O
Boiling Point 239.894 °C
Molecular Weight 135.125
Flash Point 473.052 °C at 760 mmHg
Transport Information
Appearance colourless crystalline solid
Safety 26-36/37
Risk Codes 36-43
Molecular Structure
Hazard Symbols Xi
Synonyms 4H-Pyrrolo[2,3-d]pyrimidin-4-one,1,7-dihydro- (9CI);7H-Pyrrolo[2,3-d]pyrimidin-4-ol (6CI,7CI,8CI);7-Deazahypoxanthine;NSC 124164;NSC 59251;
PSA 61.54000
LogP 0.25120

Pyrrolo[2,3-d]pyrimidin-4-ol Specification

The Pyrrolo[2,3-d]pyrimidin-4-ol, with the CAS registry number 3680-71-5, is also known as 7H-Pyrrolo[2,3-d]pyrimidin-4-ol. It belongs to the product categories of Pyrimidine; Nucleotides and Nucleosides; Bases & Related Reagents; Intermediates; Nucleotides. This chemical's molecular formula is C₆H₅N₃O and molecular weight is 135.12. What's more, both its IUPAC name and systematic name are the same which is called 1,7-Dihydropyrrolo[2,3-d]pyrimidin-4-one. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. It can be used as xanthine oxidase-activated prodrug of thymidine phosphorylase inhibitor.

Physical properties about Pyrrolo[2,3-d]pyrimidin-4-ol are: (1)ACD/LogP: -0.869; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.87; (4)ACD/LogD (pH 7.4): -0.87; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 8.02; (8)ACD/KOC (pH 7.4): 8.02; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 57.25 Å²; (13)Index of Refraction: 1.784; (14)Molar Refractivity: 35.108 cm³; (15)Molar Volume: 83.333 cm³; (16)Polarizability: 13.918×10^-24cm³; (17)Surface Tension: 70.37 dyne/cm; (18)Density: 1.621 g/cm³; (19)Flash Point: 239.894 °C; (20)Enthalpy of Vaporization: 73.611 kJ/mol; (21)Boiling Point: 473.052 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2/N=C\Nc1nccc12
(2) InChI: InChI=1S/C6H5N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H,(H2,7,8,9,10)
(3) InChIKey: FBMZEITWVNHWJW-UHFFFAOYSA-N

Product Name

Pyrrolo[2,3-d]pyrimidin-4-ol

Pyrrolo[2,3-d]pyrimidin-4-ol Specification

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