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72816-88-7 | 2,4(1H,3H)-Pyrimidinedione,6-amino-5-(methylamino)-1-(phenylmethyl)-
CAS No: 72816-88-7 Catalog No: AG005ELY MDL No:MFCD00205030
Product Description
Catalog Number:
AG005ELY
Chemical Name:
2,4(1H,3H)-Pyrimidinedione,6-amino-5-(methylamino)-1-(phenylmethyl)-
CAS Number:
72816-88-7
Molecular Formula:
C12H14N4O2
Molecular Weight:
246.2652
MDL Number:
MFCD00205030
IUPAC Name:
6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-dione
InChI:
InChI=1S/C12H14N4O2/c1-14-9-10(13)16(12(18)15-11(9)17)7-8-5-3-2-4-6-8/h2-6,14H,7,13H2,1H3,(H,15,17,18)
InChI Key:
HMRFBSJXLDMJAC-UHFFFAOYSA-N
SMILES:
CNc1c(=O)[nH]c(=O)n(c1N)Cc1ccccc1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.112g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
246.27g/mol
Monoisotopic Mass:
246.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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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