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141234-28-8 | Imidazo[1,2-a]pyrimidine-6-carboxylic acid, 1,2,3,5-tetrahydro-1-methyl-2-(4-methylphenyl)-5-oxo-
CAS No: 141234-28-8 Catalog No: AG001G4C MDL No:
Product Description
Catalog Number:
AG001G4C
Chemical Name:
Imidazo[1,2-a]pyrimidine-6-carboxylic acid, 1,2,3,5-tetrahydro-1-methyl-2-(4-methylphenyl)-5-oxo-
CAS Number:
141234-28-8
Molecular Formula:
C15H15N3O3
Molecular Weight:
285.2979
IUPAC Name:
1-methyl-2-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C15H15N3O3/c1-9-3-5-10(6-4-9)12-8-18-13(19)11(14(20)21)7-16-15(18)17(12)2/h3-7,12H,8H2,1-2H3,(H,20,21)
InChI Key:
JYSFAHDUTLSPEX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1Cn2c(N1C)ncc(c2=O)C(=O)O
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.303g/mol
Monoisotopic Mass:
285.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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