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102207-69-2 | 4-Pyrimidinamine, 6-chloro-5-hexyl-2-methyl-
CAS No: 102207-69-2 Catalog No: AG0006XK MDL No:
Product Description
Catalog Number:
AG0006XK
Chemical Name:
4-Pyrimidinamine, 6-chloro-5-hexyl-2-methyl-
CAS Number:
102207-69-2
Molecular Formula:
C11H18ClN3
Molecular Weight:
227.7337
IUPAC Name:
6-chloro-5-hexyl-2-methylpyrimidin-4-amine
InChI:
InChI=1S/C11H18ClN3/c1-3-4-5-6-7-9-10(12)14-8(2)15-11(9)13/h3-7H2,1-2H3,(H2,13,14,15)
InChI Key:
DUZHGJDTZVOGAW-UHFFFAOYSA-N
SMILES:
CCCCCCc1c(N)nc(nc1Cl)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.119g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.736g/mol
Monoisotopic Mass:
227.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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