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873686-90-9 | 5-Pyrimidinamine, 4-chloro-N-ethyl-
CAS No: 873686-90-9 Catalog No: AG004KOL MDL No:
Product Description
Catalog Number:
AG004KOL
Chemical Name:
5-Pyrimidinamine, 4-chloro-N-ethyl-
CAS Number:
873686-90-9
Molecular Formula:
C6H8ClN3
Molecular Weight:
157.6008
IUPAC Name:
4-chloro-N-ethylpyrimidin-5-amine
InChI:
InChI=1S/C6H8ClN3/c1-2-9-5-3-8-4-10-6(5)7/h3-4,9H,2H2,1H3
InChI Key:
XUJPSNOLZSVKDK-UHFFFAOYSA-N
SMILES:
CCNc1cncnc1Cl
Properties
Complexity:
99
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:
2
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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