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1142946-01-7 | 7H-Pyrrolo[2,3-d]pyriMidin-2-aMine, 4-(4-Methyl-2-thienyl)-N-[4-(4-MorpholinylMethyl)phenyl]-
CAS No: 1142946-01-7 Catalog No: AG000AZY MDL No:
Product Description
Catalog Number:
AG000AZY
Chemical Name:
7H-Pyrrolo[2,3-d]pyriMidin-2-aMine, 4-(4-Methyl-2-thienyl)-N-[4-(4-MorpholinylMethyl)phenyl]-
CAS Number:
1142946-01-7
Molecular Formula:
C22H23N5OS
Molecular Weight:
405.5159
IUPAC Name:
4-(4-methylthiophen-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
InChI:
InChI=1S/C22H23N5OS/c1-15-12-19(29-14-15)20-18-6-7-23-21(18)26-22(25-20)24-17-4-2-16(3-5-17)13-27-8-10-28-11-9-27/h2-7,12,14H,8-11,13H2,1H3,(H2,23,24,25,26)
InChI Key:
PDPDADAQKFRHGW-UHFFFAOYSA-N
SMILES:
Cc1csc(c1)c1nc(Nc2ccc(cc2)CN2CCOCC2)nc2c1cc[nH]2
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.162g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
405.52g/mol
Monoisotopic Mass:
405.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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