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847675-84-7 | Propanamide, N,N'-[(2-amino-4,6-pyrimidinediyl)di-6,2-pyridinediyl]bis-
CAS No: 847675-84-7 Catalog No: AG004XTK MDL No:
Product Description
Catalog Number:
AG004XTK
Chemical Name:
Propanamide, N,N'-[(2-amino-4,6-pyrimidinediyl)di-6,2-pyridinediyl]bis-
CAS Number:
847675-84-7
Molecular Formula:
C20H21N7O2
Molecular Weight:
391.4264
IUPAC Name:
N-[6-[2-amino-6-[6-(propanoylamino)pyridin-2-yl]pyrimidin-4-yl]pyridin-2-yl]propanamide
InChI:
InChI=1S/C20H21N7O2/c1-3-18(28)26-16-9-5-7-12(22-16)14-11-15(25-20(21)24-14)13-8-6-10-17(23-13)27-19(29)4-2/h5-11H,3-4H2,1-2H3,(H2,21,24,25)(H,22,26,28)(H,23,27,29)
InChI Key:
GAHHDDMUIVTVKD-UHFFFAOYSA-N
SMILES:
CCC(=O)Nc1cccc(n1)c1nc(N)nc(c1)c1cccc(n1)NC(=O)CC
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.176g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
391.435g/mol
Monoisotopic Mass:
391.176g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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