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1137475-15-0 | 2-Pyrazinecarbonitrile, 5-[[6-[2-(aminomethyl)-4-morpholinyl]-4-pyrimidinyl]amino]-
CAS No: 1137475-15-0 Catalog No: AG0009J1 MDL No:
Product Description
Catalog Number:
AG0009J1
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[6-[2-(aminomethyl)-4-morpholinyl]-4-pyrimidinyl]amino]-
CAS Number:
1137475-15-0
Molecular Formula:
C14H16N8O
Molecular Weight:
312.3298
IUPAC Name:
5-[[6-[2-(aminomethyl)morpholin-4-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C14H16N8O/c15-4-10-6-18-13(7-17-10)21-12-3-14(20-9-19-12)22-1-2-23-11(5-16)8-22/h3,6-7,9,11H,1-2,5,8,16H2,(H,18,19,20,21)
InChI Key:
SSFCEYILWPVDRN-UHFFFAOYSA-N
SMILES:
NCC1OCCN(C1)c1ncnc(c1)Nc1cnc(cn1)C#N
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.145g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.337g/mol
Monoisotopic Mass:
312.145g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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