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Home > Pyridines > 1221153-86-1
1221153-86-1 | 2(1H)-Pyrimidinone, 6-[1-(1-methylethyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-
CAS No: 1221153-86-1 Catalog No: AG0016S4 MDL No:
Product Description
Catalog Number:
AG0016S4
Chemical Name:
2(1H)-Pyrimidinone, 6-[1-(1-methylethyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-
CAS Number:
1221153-86-1
Molecular Formula:
C14H14N4O
Molecular Weight:
254.2872
IUPAC Name:
6-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)-1H-pyrimidin-2-one
InChI:
InChI=1S/C14H14N4O/c1-9(2)18-8-11(10-3-5-15-7-13(10)18)12-4-6-16-14(19)17-12/h3-9H,1-2H3,(H,16,17,19)
InChI Key:
ILSGCHXRQDQHBF-UHFFFAOYSA-N
SMILES:
O=c1nccc([nH]1)c1cn(c2c1ccnc2)C(C)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.117g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.293g/mol
Monoisotopic Mass:
254.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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