2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C16H21N5OS2 — CID 46583765

IUPAC2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCc1noc(C(C)Sc2nc(N)c3c(C)c(C)sc3n2)n1
InChIInChI=1S/C16H21N5OS2/c1-5-6-7-11-18-14(22-21-11)10(4)24-16-19-13(17)12-8(2)9(3)23-15(12)20-16/h10H,5-7H2,1-4H3,(H2,17,19,20)
InChIKeyPRYBWKNMGIZXMR-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.47
Rot. Bonds6

About 2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 46583765) has the molecular formula C16H21N5OS2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID46583765
Molecular FormulaC16H21N5OS2
Molecular Weight363.51 g/mol
Exact Mass363.12
IUPAC Name2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCc1noc(C(C)Sc2nc(N)c3c(C)c(C)sc3n2)n1
InChIInChI=1S/C16H21N5OS2/c1-5-6-7-11-18-14(22-21-11)10(4)24-16-19-13(17)12-8(2)9(3)23-15(12)20-16/h10H,5-7H2,1-4H3,(H2,17,19,20)
InChIKeyPRYBWKNMGIZXMR-UHFFFAOYSA-N
XLogP4.47
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 46583765) is 2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CCCCc1noc(C(C)Sc2nc(N)c3c(C)c(C)sc3n2)n1.
What is the InChIKey of 2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PRYBWKNMGIZXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS2/c1-5-6-7-11-18-14(22-21-11)10(4)24-16-19-13(17)12-8(2)9(3)23-15(12)20-16/h10H,5-7H2,1-4H3,(H2,17,19,20).
What are the key properties of 2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 363.51 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 46583765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).