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1137476-48-2 | 2-Pyrazinecarbonitrile, 5-[[5-amino-4-[(3-amino-3-phenylpropyl)amino]-2-pyridinyl]amino]-
CAS No: 1137476-48-2 Catalog No: AG0009KK MDL No:
Product Description
Catalog Number:
AG0009KK
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[5-amino-4-[(3-amino-3-phenylpropyl)amino]-2-pyridinyl]amino]-
CAS Number:
1137476-48-2
Molecular Formula:
C19H20N8
Molecular Weight:
360.4157
IUPAC Name:
5-[[5-amino-4-[(3-amino-3-phenylpropyl)amino]pyridin-2-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C19H20N8/c20-9-14-10-25-19(12-24-14)27-18-8-17(16(22)11-26-18)23-7-6-15(21)13-4-2-1-3-5-13/h1-5,8,10-12,15H,6-7,21-22H2,(H2,23,25,26,27)
InChI Key:
YWUPEUKQMLMCFP-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(cn1)Nc1ncc(c(c1)NCCC(c1ccccc1)N)N
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.181g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
360.425g/mol
Monoisotopic Mass:
360.181g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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