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1137475-53-6 | 2-Pyrazinecarbonitrile, 5-[[6-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-4-pyrimidinyl]amino]-
CAS No: 1137475-53-6 Catalog No: AG0009JX MDL No:
Product Description
Catalog Number:
AG0009JX
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[6-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-4-pyrimidinyl]amino]-
CAS Number:
1137475-53-6
Molecular Formula:
C12H13N7O2
Molecular Weight:
287.2773
IUPAC Name:
5-[[6-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C12H13N7O2/c13-2-8-3-15-12(4-14-8)19-11-1-10(16-7-17-11)18-9(5-20)6-21/h1,3-4,7,9,20-21H,5-6H2,(H2,15,16,17,18,19)
InChI Key:
MPRLIMDTQWEJHT-UHFFFAOYSA-N
SMILES:
OCC(Nc1ncnc(c1)Nc1cnc(cn1)C#N)CO
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.113g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
287.283g/mol
Monoisotopic Mass:
287.113g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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