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157286-86-7

157286-86-7 | 7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)-

CAS No: 157286-86-7 Catalog No: AG001PCV MDL No:

Product Description

Catalog Number:
AG001PCV
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)-
CAS Number:
157286-86-7
Molecular Formula:
C23H32N4
Molecular Weight:
364.5270
IUPAC Name:
N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
InChI:
InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
InChI Key:
FHQYJZCJRZHINA-UHFFFAOYSA-N
SMILES:
CCCCN(c1nc(C)nc2c1c(C)cn2c1c(C)cc(cc1C)C)CC
UNII:
9A549FB00R

Properties

Complexity:
457  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.263g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.537g/mol
Monoisotopic Mass:
364.263g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2  

Literature

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