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Home Aminos 2,4(1H,3H)-Pyrimidinedione, 6-amino-1-(phenylmethyl)-

2,4(1H,3H)-Pyrimidinedione, 6-amino-1-(phenylmethyl)-

CAS No.:
41862-11-7
Catalog Number:
AG0074ZQ
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
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Product Description
Catalog Number:
AG0074ZQ
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-amino-1-(phenylmethyl)-
CAS Number:
41862-11-7
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD00205031
IUPAC Name:
6-amino-1-benzylpyrimidine-2,4-dione
InChI:
InChI=1S/C11H11N3O2/c12-9-6-10(15)13-11(16)14(9)7-8-4-2-1-3-5-8/h1-6H,7,12H2,(H,13,15,16)
InChI Key:
QMKJOZVQZBJSEC-UHFFFAOYSA-N
SMILES:
O=c1cc(N)n(c(=O)[nH]1)Cc1ccccc1
NSC Number:
70496
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
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
Properties