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173458-97-4 | 4H-Pyrrolo[2,3-d]pyriMidin-4-one, 3,7-dihydro-6-(4-Methoxyphenyl)-
CAS No: 173458-97-4 Catalog No: AG001YXB MDL No:
Product Description
Catalog Number:
AG001YXB
Chemical Name:
4H-Pyrrolo[2,3-d]pyriMidin-4-one, 3,7-dihydro-6-(4-Methoxyphenyl)-
CAS Number:
173458-97-4
Molecular Formula:
C13H11N3O2
Molecular Weight:
241.2453
IUPAC Name:
6-(4-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C13H11N3O2/c1-18-9-4-2-8(3-5-9)11-6-10-12(16-11)14-7-15-13(10)17/h2-7H,1H3,(H2,14,15,16,17)
InChI Key:
WXLDAMGBNHAYSE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1[nH]c2c(c1)c(=O)[nH]cn2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.25g/mol
Monoisotopic Mass:
241.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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