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

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

CAS No.:
1216122-04-1
Catalog Number:
AG01A8G7
Molecular Formula:
C11H15N3O3
Molecular Weight:
237.2551
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Product Description
Catalog Number:
AG01A8G7
Chemical Name:
2-[4-methyl-6-oxo-2-(pyrrolidin-1-yl)-1,6-dihydropyrimidin-5-yl]acetic acid
CAS Number:
1216122-04-1
Molecular Formula:
C11H15N3O3
Molecular Weight:
237.2551
MDL Number:
MFCD13344977
IUPAC Name:
2-(4-methyl-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-5-yl)acetic acid
InChI:
InChI=1S/C11H15N3O3/c1-7-8(6-9(15)16)10(17)13-11(12-7)14-4-2-3-5-14/h2-6H2,1H3,(H,15,16)(H,12,13,17)
InChI Key:
QWNDRJWYPFPGJJ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(C)nc([nH]c1=O)N1CCCC1
Properties
Complexity:
420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.111g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
237.259g/mol
Monoisotopic Mass:
237.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties