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149765-15-1

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Basic Information
CAS No.: 149765-15-1
Name: N-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropionamide
Article Data: 12
Molecular Structure:
Molecular Structure of 149765-15-1 (N-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropionamide)
Formula: C11H13ClN4O
Molecular Weight: 252.703
Synonyms: N-(4-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDIN-2-YL)-2,2-DIMETHYLPROPIONAMIDE;PropanaMide, N-(4-chloro-7H-pyrrolo[2,3-d]pyriMidin-2-yl)-2,2-diMethyl-;N2-Pivaloyl-4-chloro-7H-pyrrolo[2,3-d]pyriMidine;N-(4-Chloro-7H-pyrrolo[2,3-d]pyriMidin-2-yl)-2,2-diMethyl propanaMide
Density: 1.381 g/cm3
PSA: 70.67000
LogP: 2.66890
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Specification

This chemical is called N-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropionamide, and its systematic name is N-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide. With the molecular formula of C11H13ClN4O, its molecular weight is 252.70. The CAS registry number of this chemical is 149765-15-1. 

Other characteristics of N-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropionamide can be summarised as followings: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 192; (8)ACD/KOC (pH 7.4): 192; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 70.67 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 67.742 cm3; (15)Molar Volume: 182.921 cm3; (16)Polarizability: 26.855×10-24cm3; (17)Surface Tension: 61.891 dyne/cm; (18)Density: 1.381 g/cm3.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(Nc1nc2c(c(Cl)n1)ccn2)C(C)(C)C
2.InChI: InChI=1/C11H13ClN4O/c1-11(2,3)9(17)16-10-14-7(12)6-4-5-13-8(6)15-10/h4-5H,1-3H3,(H2,13,14,15,16,17)
3.InChIKey: HNBVXLCVUIJCSK-UHFFFAOYAN
4.Std. InChI: InChI=1S/C11H13ClN4O/c1-11(2,3)9(17)16-10-14-7(12)6-4-5-13-8(6)15-10/h4-5H,1-3H3,(H2,13,14,15,16,17)
5.Std. InChIKey: HNBVXLCVUIJCSK-UHFFFAOYSA-N