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Home Aminos 6-amino-1-cyclopropylpyrimidine-2,4(1H,3H)-dione

6-amino-1-cyclopropylpyrimidine-2,4(1H,3H)-dione

CAS No.:
75914-62-4
Catalog Number:
AG00J96U
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
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Product Description
Catalog Number:
AG00J96U
Chemical Name:
6-amino-1-cyclopropylpyrimidine-2,4(1H,3H)-dione
CAS Number:
75914-62-4
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
MDL Number:
MFCD07690492
IUPAC Name:
6-amino-1-cyclopropylpyrimidine-2,4-dione
InChI:
InChI=1S/C7H9N3O2/c8-5-3-6(11)9-7(12)10(5)4-1-2-4/h3-4H,1-2,8H2,(H,9,11,12)
InChI Key:
XXNAZVMHAGMLRX-UHFFFAOYSA-N
SMILES:
Nc1cc(=O)[nH]c(=O)n1C1CC1
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.069g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
167.168g/mol
Monoisotopic Mass:
167.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
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