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87986-17-2 | 2,4(1H,3H)-Pyrimidinedione, 6-[(3-ethyl-4-methylphenyl)amino]-
CAS No: 87986-17-2 Catalog No: AG004LM3 MDL No:
Product Description
Catalog Number:
AG004LM3
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-[(3-ethyl-4-methylphenyl)amino]-
CAS Number:
87986-17-2
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
IUPAC Name:
6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C13H15N3O2/c1-3-9-6-10(5-4-8(9)2)14-11-7-12(17)16-13(18)15-11/h4-7H,3H2,1-2H3,(H3,14,15,16,17,18)
InChI Key:
GNENZJCWXXDRKE-UHFFFAOYSA-N
SMILES:
CCc1cc(ccc1C)Nc1cc(=O)[nH]c(=O)[nH]1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Active site directed inhibitors of replication-specific bacterial DNA polymerases. | Bioorganic & medicinal chemistry letters 20050201 |
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