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1137475-52-5 | 2-Pyrazinecarbonitrile, 5-[[6-[(4-hydroxybutyl)amino]-4-pyrimidinyl]amino]-
CAS No: 1137475-52-5 Catalog No: AG0009JY MDL No:
Product Description
Catalog Number:
AG0009JY
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[6-[(4-hydroxybutyl)amino]-4-pyrimidinyl]amino]-
CAS Number:
1137475-52-5
Molecular Formula:
C13H15N7O
Molecular Weight:
285.3045
IUPAC Name:
5-[[6-(4-hydroxybutylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C13H15N7O/c14-6-10-7-17-13(8-16-10)20-12-5-11(18-9-19-12)15-3-1-2-4-21/h5,7-9,21H,1-4H2,(H2,15,17,18,19,20)
InChI Key:
JLFSXMUOSCZXHM-UHFFFAOYSA-N
SMILES:
OCCCCNc1cc(Nc2cnc(cn2)C#N)ncn1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.134g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
285.311g/mol
Monoisotopic Mass:
285.134g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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