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6972-23-2 | 5-[(3,4-dimethylphenyl)amino]-6-hydroxypyrimidin-4(3h)-one
CAS No: 6972-23-2 Catalog No: AG005IS2 MDL No:
Product Description
Catalog Number:
AG005IS2
Chemical Name:
5-[(3,4-dimethylphenyl)amino]-6-hydroxypyrimidin-4(3h)-one
CAS Number:
6972-23-2
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
5-(3,4-dimethylanilino)-4-hydroxy-1H-pyrimidin-6-one
InChI:
InChI=1S/C12H13N3O2/c1-7-3-4-9(5-8(7)2)15-10-11(16)13-6-14-12(10)17/h3-6,15H,1-2H3,(H2,13,14,16,17)
InChI Key:
WWWKCDOICZRDKY-UHFFFAOYSA-N
SMILES:
Oc1nc[nH]c(=O)c1Nc1ccc(c(c1)C)C
NSC Number:
61910
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| 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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