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1137475-09-2 | Acetamide, 2-[(2-aminoethyl)[6-[(5-cyano-2-pyrazinyl)amino]-4-pyrimidinyl]amino]-
CAS No: 1137475-09-2 Catalog No: AG0009J3 MDL No:
Product Description
Catalog Number:
AG0009J3
Chemical Name:
Acetamide, 2-[(2-aminoethyl)[6-[(5-cyano-2-pyrazinyl)amino]-4-pyrimidinyl]amino]-
CAS Number:
1137475-09-2
Molecular Formula:
C13H15N9O
Molecular Weight:
313.3179
IUPAC Name:
2-[2-aminoethyl-[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]acetamide
InChI:
InChI=1S/C13H15N9O/c14-1-2-22(7-10(16)23)13-3-11(19-8-20-13)21-12-6-17-9(4-15)5-18-12/h3,5-6,8H,1-2,7,14H2,(H2,16,23)(H,18,19,20,21)
InChI Key:
QOTBUWNINBLTRQ-UHFFFAOYSA-N
SMILES:
NCCN(c1ncnc(c1)Nc1cnc(cn1)C#N)CC(=O)N
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.14g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
313.325g/mol
Monoisotopic Mass:
313.14g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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