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160009-36-9 | 5-Pyrimidinecarboxylic acid, 4-(4-fluorophenyl)-2-(methylamino)-6-(1-methylethyl)-, methyl ester
CAS No: 160009-36-9 Catalog No: AG001RLL MDL No:MFCD08458398
Product Description
Catalog Number:
AG001RLL
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-(4-fluorophenyl)-2-(methylamino)-6-(1-methylethyl)-, methyl ester
CAS Number:
160009-36-9
Molecular Formula:
C16H18FN3O2
Molecular Weight:
303.3314
MDL Number:
MFCD08458398
IUPAC Name:
methyl 4-(4-fluorophenyl)-2-(methylamino)-6-propan-2-ylpyrimidine-5-carboxylate
InChI:
InChI=1S/C16H18FN3O2/c1-9(2)13-12(15(21)22-4)14(20-16(18-3)19-13)10-5-7-11(17)8-6-10/h5-9H,1-4H3,(H,18,19,20)
InChI Key:
ZMUMVOISTUCVJK-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(nc(nc1C(C)C)NC)c1ccc(cc1)F
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.138g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.337g/mol
Monoisotopic Mass:
303.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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