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72255-65-3 | 2,4(1H,3H)-Pyrimidinedione, 6-[(3-chloro-4-methylphenyl)amino]-
CAS No: 72255-65-3 Catalog No: AG005J2V MDL No:
Product Description
Catalog Number:
AG005J2V
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-[(3-chloro-4-methylphenyl)amino]-
CAS Number:
72255-65-3
Molecular Formula:
C11H10ClN3O2
Molecular Weight:
251.6690
IUPAC Name:
6-(3-chloro-4-methylanilino)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C11H10ClN3O2/c1-6-2-3-7(4-8(6)12)13-9-5-10(16)15-11(17)14-9/h2-5H,1H3,(H3,13,14,15,16,17)
InChI Key:
AGODMOHWZKRIGR-UHFFFAOYSA-N
SMILES:
O=c1cc(Nc2ccc(c(c2)Cl)C)[nH]c(=O)[nH]1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
251.67g/mol
Monoisotopic Mass:
251.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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