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284681-49-8 | 4-Pyrimidinamine, 2-[(3-chlorophenyl)thio]-6-(1-methylpropoxy)-
CAS No: 284681-49-8 Catalog No: AG002VEW MDL No:
Product Description
Catalog Number:
AG002VEW
Chemical Name:
4-Pyrimidinamine, 2-[(3-chlorophenyl)thio]-6-(1-methylpropoxy)-
CAS Number:
284681-49-8
Molecular Formula:
C14H16ClN3OS
Molecular Weight:
309.8143
IUPAC Name:
6-butan-2-yloxy-2-(3-chlorophenyl)sulfanylpyrimidin-4-amine
InChI:
InChI=1S/C14H16ClN3OS/c1-3-9(2)19-13-8-12(16)17-14(18-13)20-11-6-4-5-10(15)7-11/h4-9H,3H2,1-2H3,(H2,16,17,18)
InChI Key:
YBCXWCRIGXVZRG-UHFFFAOYSA-N
SMILES:
CCC(Oc1cc(N)nc(n1)Sc1cccc(c1)Cl)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.07g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.812g/mol
Monoisotopic Mass:
309.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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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