8-(3,5-dichlorophenyl)sulfanyl-2-fluoro-7H-purin-6-amine;ethane

C15H18Cl2FN5S — CID 144791646

IUPAC8-(3,5-dichlorophenyl)sulfanyl-2-fluoro-7H-purin-6-amine;ethane
SMILESCC.CC.Nc1nc(F)nc2nc(Sc3cc(Cl)cc(Cl)c3)[nH]c12
InChIInChI=1S/C11H6Cl2FN5S.2C2H6/c12-4-1-5(13)3-6(2-4)20-11-16-7-8(15)17-10(14)18-9(7)19-11;2*1-2/h1-3H,(H3,15,16,17,18,19);2*1-2H3
InChIKeyHXTNCKTXZOBJEG-UHFFFAOYSA-N
MW390.32 g/mol
LogP5.58
Rot. Bonds2

About 8-(3,5-dichlorophenyl)sulfanyl-2-fluoro-7H-purin-6-amine;ethane

8-(3,5-dichlorophenyl)sulfanyl-2-fluoro-7H-purin-6-amine;ethane (PubChem CID 144791646) has the molecular formula C15H18Cl2FN5S and a molecular weight of 390.32 g/mol. Its IUPAC name is 8-(3,5-dichlorophenyl)sulfanyl-2-fluoro-7H-purin-6-amine;ethane.

Molecular Properties

Compound Name8-(3,5-dichlorophenyl)sulfanyl-2-fluoro-7H-purin-6-amine;ethane
PubChem CID144791646
Molecular FormulaC15H18Cl2FN5S
Molecular Weight390.32 g/mol
Exact Mass389.06
IUPAC Name8-(3,5-dichlorophenyl)sulfanyl-2-fluoro-7H-purin-6-amine;ethane
SMILESCC.CC.Nc1nc(F)nc2nc(Sc3cc(Cl)cc(Cl)c3)[nH]c12
InChIInChI=1S/C11H6Cl2FN5S.2C2H6/c12-4-1-5(13)3-6(2-4)20-11-16-7-8(15)17-10(14)18-9(7)19-11;2*1-2/h1-3H,(H3,15,16,17,18,19);2*1-2H3
InChIKeyHXTNCKTXZOBJEG-UHFFFAOYSA-N
XLogP5.58
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dichlorophenyl)sulfanyl-2-fluoro-7H-purin-6-amine;ethane?
The IUPAC name of 8-(3,5-dichlorophenyl)sulfanyl-2-fluoro-7H-purin-6-amine;ethane (CID 144791646) is 8-(3,5-dichlorophenyl)sulfanyl-2-fluoro-7H-purin-6-amine;ethane.
What is the SMILES notation for 8-(3,5-dichlorophenyl)sulfanyl-2-fluoro-7H-purin-6-amine;ethane?
The canonical SMILES for 8-(3,5-dichlorophenyl)sulfanyl-2-fluoro-7H-purin-6-amine;ethane is CC.CC.Nc1nc(F)nc2nc(Sc3cc(Cl)cc(Cl)c3)[nH]c12.
What is the InChIKey of 8-(3,5-dichlorophenyl)sulfanyl-2-fluoro-7H-purin-6-amine;ethane?
The InChIKey is HXTNCKTXZOBJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FN5S.2C2H6/c12-4-1-5(13)3-6(2-4)20-11-16-7-8(15)17-10(14)18-9(7)19-11;2*1-2/h1-3H,(H3,15,16,17,18,19);2*1-2H3.
What are the key properties of 8-(3,5-dichlorophenyl)sulfanyl-2-fluoro-7H-purin-6-amine;ethane?
8-(3,5-dichlorophenyl)sulfanyl-2-fluoro-7H-purin-6-amine;ethane has a molecular weight of 390.32 g/mol, XLogP of 5.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dichlorophenyl)sulfanyl-2-fluoro-7H-purin-6-amine;ethane is sourced from PubChem (CID 144791646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).