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5759-79-5 | "6-(benzylamino)-3-methylpyrimidine-2,4(1H,3H)-dione"
CAS No: 5759-79-5 Catalog No: AG01FMSL MDL No:MFCD00435399
Product Description
Catalog Number:
AG01FMSL
Chemical Name:
"6-(benzylamino)-3-methylpyrimidine-2,4(1H,3H)-dione"
CAS Number:
5759-79-5
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
MDL Number:
MFCD00435399
IUPAC Name:
6-(benzylamino)-3-methyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C12H13N3O2/c1-15-11(16)7-10(14-12(15)17)13-8-9-5-3-2-4-6-9/h2-7,13H,8H2,1H3,(H,14,17)
InChI Key:
SSUJDSOIUQWHRZ-UHFFFAOYSA-N
SMILES:
O=c1cc(NCc2ccccc2)[nH]c(=O)n1C
NSC Number:
82445
Properties
Complexity:
346
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:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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