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1289387-79-6 | Carbamic acid, N-[2-[(4-chloro-5-methyl-2-pyrimidinyl)amino]cyclohexyl]-, 1,1-dimethylethyl ester
CAS No: 1289387-79-6 Catalog No: AG000YNF MDL No:MFCD18837484
Product Description
Catalog Number:
AG000YNF
Chemical Name:
Carbamic acid, N-[2-[(4-chloro-5-methyl-2-pyrimidinyl)amino]cyclohexyl]-, 1,1-dimethylethyl ester
CAS Number:
1289387-79-6
Molecular Formula:
C16H25ClN4O2
Molecular Weight:
340.8483
MDL Number:
MFCD18837484
IUPAC Name:
tert-butyl N-[2-[(4-chloro-5-methylpyrimidin-2-yl)amino]cyclohexyl]carbamate
InChI:
InChI=1S/C16H25ClN4O2/c1-10-9-18-14(21-13(10)17)19-11-7-5-6-8-12(11)20-15(22)23-16(2,3)4/h9,11-12H,5-8H2,1-4H3,(H,20,22)(H,18,19,21)
InChI Key:
MBLXTTTYRBOXCC-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCCCC1Nc1ncc(c(n1)Cl)C
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.167g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.852g/mol
Monoisotopic Mass:
340.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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