200,000+ products from a single source!
sales@angenechem.com
84923-29-5 | 5-Pyrimidinecarboxamide,2-amino-4-methoxy-N-[8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl]-,exo- (9CI)
CAS No: 84923-29-5 Catalog No: AG004UY3 MDL No:
Product Description
Catalog Number:
AG004UY3
Chemical Name:
5-Pyrimidinecarboxamide,2-amino-4-methoxy-N-[8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl]-,exo- (9CI)
CAS Number:
84923-29-5
Molecular Formula:
C21H27N5O3
Molecular Weight:
397.4708
IUPAC Name:
2-amino-4-methoxy-N-[8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide
InChI:
InChI=1S/C21H27N5O3/c1-28-17-5-3-4-13(8-17)12-26-15-6-7-16(26)10-14(9-15)24-19(27)18-11-23-21(22)25-20(18)29-2/h3-5,8,11,14-16H,6-7,9-10,12H2,1-2H3,(H,24,27)(H2,22,23,25)
InChI Key:
LYJRVGWEJYAAIZ-UHFFFAOYSA-N
SMILES:
COc1nc(N)ncc1C(=O)NC1CC2CCC(C1)N2Cc1cccc(c1)OC
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.211g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
397.479g/mol
Monoisotopic Mass:
397.211g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.