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1142945-83-2 | 7H-Pyrrolo[2,3-d]pyriMidin-2-aMine, 4-chloro-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-
CAS No: 1142945-83-2 Catalog No: AG000B00 MDL No:
Product Description
Catalog Number:
AG000B00
Chemical Name:
7H-Pyrrolo[2,3-d]pyriMidin-2-aMine, 4-chloro-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-
CAS Number:
1142945-83-2
Molecular Formula:
C18H20ClN5O
Molecular Weight:
357.8373
IUPAC Name:
4-chloro-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
InChI:
InChI=1S/C18H20ClN5O/c19-16-15-7-8-20-17(15)23-18(22-16)21-13-3-5-14(6-4-13)25-12-11-24-9-1-2-10-24/h3-8H,1-2,9-12H2,(H2,20,21,22,23)
InChI Key:
VOHRPUFDGZZNJY-UHFFFAOYSA-N
SMILES:
Clc1nc(Nc2ccc(cc2)OCCN2CCCC2)nc2c1cc[nH]2
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.136g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
357.842g/mol
Monoisotopic Mass:
357.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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