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1289388-33-5 | Carbamic acid, N-[4-[(4-methyl-2-pyrimidinyl)amino]cyclohexyl]-, 1,1-dimethylethyl ester
CAS No: 1289388-33-5 Catalog No: AG000YO6 MDL No:
Product Description
Catalog Number:
AG000YO6
Chemical Name:
Carbamic acid, N-[4-[(4-methyl-2-pyrimidinyl)amino]cyclohexyl]-, 1,1-dimethylethyl ester
CAS Number:
1289388-33-5
Molecular Formula:
C16H26N4O2
Molecular Weight:
306.4032
IUPAC Name:
tert-butyl N-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]carbamate
InChI:
InChI=1S/C16H26N4O2/c1-11-9-10-17-14(18-11)19-12-5-7-13(8-6-12)20-15(21)22-16(2,3)4/h9-10,12-13H,5-8H2,1-4H3,(H,20,21)(H,17,18,19)
InChI Key:
MNNROZVCALRQGZ-UHFFFAOYSA-N
SMILES:
Cc1ccnc(n1)NC1CCC(CC1)NC(=O)OC(C)(C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.206g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.41g/mol
Monoisotopic Mass:
306.206g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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