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Home Other Building Blocks 6-Phenylpyrimidine-2,4(1H,3H)-dione

6-Phenylpyrimidine-2,4(1H,3H)-dione

CAS No.:
13345-09-0
Catalog Number:
AG007NFB
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
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Product Description
Catalog Number:
AG007NFB
Chemical Name:
6-Phenylpyrimidine-2,4(1H,3H)-dione
CAS Number:
13345-09-0
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD00128171
IUPAC Name:
6-phenyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C10H8N2O2/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
InChI Key:
NCSMAVULYUCSMB-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)[nH]c(c1)c1ccccc1
EC Number:
236-393-2
NSC Number:
49019
Properties
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties