N-(4-Oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide supplier

Name
N-(4-Oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide
EINECS
CAS No. 62160-25-2
Article Data4
CAS DataBase
Density 1.64 g/cm³
Solubility
Melting Point 342-343 °C (decomp)
Formula C₈H₈N₄O₂
Boiling Point
Molecular Weight 192.177
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetamide,N-(4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-2-yl)- (9CI);1H-Pyrrolo[2,3-d]pyrimidine, acetamide deriv.;NSC 126313;
PSA 90.64000
LogP 0.28260

N-(4-Oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide Specification

The Systematic name about this chemical is N-(4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide. The cas register number of N-(4-Oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide is 62160-25-2. It also can be called as acetamide, N-(4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-2-yl)-.

Physical properties about 1,2-Diphenoxyethane are: (1)ACD/LogP: -1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.09; (4)ACD/LogD (pH 7.4): 0.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.55; (8)ACD/KOC (pH 7.4): 26.51; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 57.91 Å²; (13)Index of Refraction: 1.758; (14)Molar Refractivity: 48.04 cm³; (15)Molar Volume: 116.8 cm³; (16)Surface Tension: 68.6 dyne/cm; (17)Density: 1.64 g/cm³.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(NC/1=N/C(=O)c2ccnc2N\1)C
2.InChI: InChI=1/C8H8N4O2/c1-4(13)10-8-11-6-5(2-3-9-6)7(14)12-8/h2-3H,1H3,(H3,9,10,11,12,13,14)
3.InChIKey: NJGZQPCFKATHHP-UHFFFAOYAE
4.Std. InChI: InChI=1S/C8H8N4O2/c1-4(13)10-8-11-6-5(2-3-9-6)7(14)12-8/h2-3H,1H3,(H3,9,10,11,12,13,14).

Product Name

N-(4-Oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide

N-(4-Oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)acetamide Specification

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