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Home Aminos 6-amino-1-benzyl-5-(benzylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione

6-amino-1-benzyl-5-(benzylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione

CAS No.:
379725-34-5
Catalog Number:
AG019H71
Molecular Formula:
C18H18N4O2
Molecular Weight:
322.3611
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Product Description
Catalog Number:
AG019H71
Chemical Name:
6-amino-1-benzyl-5-(benzylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CAS Number:
379725-34-5
Molecular Formula:
C18H18N4O2
Molecular Weight:
322.3611
MDL Number:
MFCD02368562
IUPAC Name:
6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione
InChI:
InChI=1S/C18H18N4O2/c19-16-15(20-11-13-7-3-1-4-8-13)17(23)21-18(24)22(16)12-14-9-5-2-6-10-14/h1-10,20H,11-12,19H2,(H,21,23,24)
InChI Key:
NVWATUJGRHJHMC-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)n(c(c1NCc1ccccc1)N)Cc1ccccc1
Properties
Complexity:
505  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.143g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
322.368g/mol
Monoisotopic Mass:
322.143g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
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
Properties