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1365838-64-7 | 4-Pyrimidinecarboxylic acid, 2-chloro-6-[(1,1,3,3-tetramethylbutyl)amino]-, methyl ester
CAS No: 1365838-64-7 Catalog No: AG00123M MDL No:
Product Description
Catalog Number:
AG00123M
Chemical Name:
4-Pyrimidinecarboxylic acid, 2-chloro-6-[(1,1,3,3-tetramethylbutyl)amino]-, methyl ester
CAS Number:
1365838-64-7
Molecular Formula:
C14H22ClN3O2
Molecular Weight:
299.7964
IUPAC Name:
methyl 2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyrimidine-4-carboxylate
InChI:
InChI=1S/C14H22ClN3O2/c1-13(2,3)8-14(4,5)18-10-7-9(11(19)20-6)16-12(15)17-10/h7H,8H2,1-6H3,(H,16,17,18)
InChI Key:
RADWLQKVCPACMB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(nc(n1)Cl)NC(CC(C)(C)C)(C)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.14g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.799g/mol
Monoisotopic Mass:
299.14g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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