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1138472-98-6 | 2-PyriMidinaMine, 4-[5-(3,5-diMethyl-4-isoxazolyl)-2-thienyl]-5-Methyl-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-
CAS No: 1138472-98-6 Catalog No: AG0009W2 MDL No:
Product Description
Catalog Number:
AG0009W2
Chemical Name:
2-PyriMidinaMine, 4-[5-(3,5-diMethyl-4-isoxazolyl)-2-thienyl]-5-Methyl-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-
CAS Number:
1138472-98-6
Molecular Formula:
C26H29N5O2S
Molecular Weight:
475.6058
IUPAC Name:
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine
InChI:
InChI=1S/C26H29N5O2S/c1-17-16-27-26(28-20-6-8-21(9-7-20)32-15-14-31-12-4-5-13-31)29-25(17)23-11-10-22(34-23)24-18(2)30-33-19(24)3/h6-11,16H,4-5,12-15H2,1-3H3,(H,27,28,29)
InChI Key:
KYSVQNXURWQFGO-UHFFFAOYSA-N
SMILES:
Cc1cnc(nc1c1ccc(s1)c1c(C)noc1C)Nc1ccc(cc1)OCCN1CCCC1
Properties
Complexity:
630
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.204g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
475.611g/mol
Monoisotopic Mass:
475.204g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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