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Home > Indoles and Oxindole > 89246-32-2
89246-32-2 | 2,4(1H,3H)-Pyrimidinedione, 3-methyl-5-(1-methyl-1H-indol-3-yl)-
CAS No: 89246-32-2 Catalog No: AG0043V8 MDL No:
Product Description
Catalog Number:
AG0043V8
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 3-methyl-5-(1-methyl-1H-indol-3-yl)-
CAS Number:
89246-32-2
Molecular Formula:
C14H13N3O2
Molecular Weight:
255.2719
IUPAC Name:
3-methyl-5-(1-methylindol-3-yl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C14H13N3O2/c1-16-8-11(9-5-3-4-6-12(9)16)10-7-15-14(19)17(2)13(10)18/h3-8H,1-2H3,(H,15,19)
InChI Key:
ISENYEHVTFRQHM-UHFFFAOYSA-N
SMILES:
O=c1[nH]cc(c(=O)n1C)c1cn(c2c1cccc2)C
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.277g/mol
Monoisotopic Mass:
255.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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