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1138473-55-8 | 2-PyriMidinaMine, 4-chloro-5-Methyl-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-
CAS No: 1138473-55-8 Catalog No: AG0009W0 MDL No:
Product Description
Catalog Number:
AG0009W0
Chemical Name:
2-PyriMidinaMine, 4-chloro-5-Methyl-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-
CAS Number:
1138473-55-8
Molecular Formula:
C17H21ClN4O
Molecular Weight:
332.8278
IUPAC Name:
4-chloro-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine
InChI:
InChI=1S/C17H21ClN4O/c1-13-12-19-17(21-16(13)18)20-14-4-6-15(7-5-14)23-11-10-22-8-2-3-9-22/h4-7,12H,2-3,8-11H2,1H3,(H,19,20,21)
InChI Key:
FCFKLYFGQXMWLD-UHFFFAOYSA-N
SMILES:
Clc1nc(ncc1C)Nc1ccc(cc1)OCCN1CCCC1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.14g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.832g/mol
Monoisotopic Mass:
332.14g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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