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2858-20-0 | 4-Pyrimidinamine, 5-chloro-2,6-dimethyl-
CAS No: 2858-20-0 Catalog No: AG002VRA MDL No:
Product Description
Catalog Number:
AG002VRA
Chemical Name:
4-Pyrimidinamine, 5-chloro-2,6-dimethyl-
CAS Number:
2858-20-0
Molecular Formula:
C6H8ClN3
Molecular Weight:
157.6008
IUPAC Name:
5-chloro-2,6-dimethylpyrimidin-4-amine
InChI:
InChI=1S/C6H8ClN3/c1-3-5(7)6(8)10-4(2)9-3/h1-2H3,(H2,8,9,10)
InChI Key:
BKFCZKYCVQQMCX-UHFFFAOYSA-N
SMILES:
Cc1nc(C)c(c(n1)N)Cl
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.041g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.601g/mol
Monoisotopic Mass:
157.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Stepwise charge transfer complexation of some pyrimidines with sigma-acceptor iodine involving a new unconventional acceptor. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20071101 |
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