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1137475-17-2 | 2-Pyrazinecarbonitrile, 5-[[6-[(4-aminobutyl)amino]-4-pyrimidinyl]amino]-
CAS No: 1137475-17-2 Catalog No: AG0009J0 MDL No:
Product Description
Catalog Number:
AG0009J0
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[6-[(4-aminobutyl)amino]-4-pyrimidinyl]amino]-
CAS Number:
1137475-17-2
Molecular Formula:
C13H16N8
Molecular Weight:
284.3197
IUPAC Name:
5-[[6-(4-aminobutylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C13H16N8/c14-3-1-2-4-16-11-5-12(20-9-19-11)21-13-8-17-10(6-15)7-18-13/h5,7-9H,1-4,14H2,(H2,16,18,19,20,21)
InChI Key:
DULCHLIZXSYMTD-UHFFFAOYSA-N
SMILES:
NCCCCNc1cc(Nc2cnc(cn2)C#N)ncn1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.15g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
284.327g/mol
Monoisotopic Mass:
284.15g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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