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1227958-71-5 | 4H-Pyrrolo[2,3-d]pyrimidin-4-one, 3,7-dihydro-2-(4-morpholinyl)-
CAS No: 1227958-71-5 Catalog No: AG000JH6 MDL No:MFCD22199284
Product Description
Catalog Number:
AG000JH6
Chemical Name:
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 3,7-dihydro-2-(4-morpholinyl)-
CAS Number:
1227958-71-5
Molecular Formula:
C10H12N4O2
Molecular Weight:
220.2279
MDL Number:
MFCD22199284
IUPAC Name:
2-morpholin-4-yl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C10H12N4O2/c15-9-7-1-2-11-8(7)12-10(13-9)14-3-5-16-6-4-14/h1-2H,3-6H2,(H2,11,12,13,15)
InChI Key:
LHATWMRRTPOZNQ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(nc2c1cc[nH]2)N1CCOCC1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.232g/mol
Monoisotopic Mass:
220.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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