Home Other Building Blocks 2-[6-methyl-4-oxo-2-(pyrimidin-2-yl)-1,4-dihydropyrimidin-5-yl]acetic acid

2-[6-methyl-4-oxo-2-(pyrimidin-2-yl)-1,4-dihydropyrimidin-5-yl]acetic acid

CAS No.:
1240529-49-0
Catalog Number:
AG01A9O4
Molecular Formula:
C11H10N4O3
Molecular Weight:
246.2221
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Product Description
Catalog Number:
AG01A9O4
Chemical Name:
2-[6-methyl-4-oxo-2-(pyrimidin-2-yl)-1,4-dihydropyrimidin-5-yl]acetic acid
CAS Number:
1240529-49-0
Molecular Formula:
C11H10N4O3
Molecular Weight:
246.2221
MDL Number:
MFCD16622165
IUPAC Name:
2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetic acid
InChI:
InChI=1S/C11H10N4O3/c1-6-7(5-8(16)17)11(18)15-10(14-6)9-12-3-2-4-13-9/h2-4H,5H2,1H3,(H,16,17)(H,14,15,18)
InChI Key:
BZETVWGAKTXHJZ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(C)[nH]c(nc1=O)c1ncccn1
Properties
Complexity:
436  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.075g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
246.226g/mol
Monoisotopic Mass:
246.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties