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Home Sulfos Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]pyrimidine-5-carboxylate

Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]pyrimidine-5-carboxylate

CAS No.:
289042-11-1
Catalog Number:
AG002X0R
Molecular Formula:
C17H20FN3O4S
Molecular Weight:
381.4218
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$158
- +
5g
95%
In Stock USA
United States
$436
- +
Product Description
Catalog Number:
AG002X0R
Chemical Name:
Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]pyrimidine-5-carboxylate
CAS Number:
289042-11-1
Molecular Formula:
C17H20FN3O4S
Molecular Weight:
381.4218
MDL Number:
MFCD08235142
IUPAC Name:
methyl 4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidine-5-carboxylate
InChI:
InChI=1S/C17H20FN3O4S/c1-10(2)14-13(16(22)25-4)15(11-6-8-12(18)9-7-11)20-17(19-14)21(3)26(5,23)24/h6-10H,1-5H3
InChI Key:
BYVHIGJQQZGFPU-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(nc(nc1C(C)C)N(S(=O)(=O)C)C)c1ccc(cc1)F
EC Number:
608-290-6
Properties
Complexity:
587  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.116g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.422g/mol
Monoisotopic Mass:
381.116g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Methyl 4-(4-fluoro-phen-yl)-6-isopropyl-2-[N-methyl-N-(methylsulfonyl)amino]-pyrimidine-5-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20080601
Properties