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284681-94-3 | 4-Pyrimidinamine, 6-(butylthio)-2-chloro-
CAS No: 284681-94-3 Catalog No: AG002VF3 MDL No:
Product Description
Catalog Number:
AG002VF3
Chemical Name:
4-Pyrimidinamine, 6-(butylthio)-2-chloro-
CAS Number:
284681-94-3
Molecular Formula:
C8H12ClN3S
Molecular Weight:
217.7190
IUPAC Name:
6-butylsulfanyl-2-chloropyrimidin-4-amine
InChI:
InChI=1S/C8H12ClN3S/c1-2-3-4-13-7-5-6(10)11-8(9)12-7/h5H,2-4H2,1H3,(H2,10,11,12)
InChI Key:
XDAQYULMPAUSQV-UHFFFAOYSA-N
SMILES:
CCCCSc1cc(N)nc(n1)Cl
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.715g/mol
Monoisotopic Mass:
217.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship studies on potential non-nucleoside DABO-like inhibitors of HIV-1 reverse transcriptase. | Antiviral chemistry & chemotherapy 20000301 |
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