2-cyclopentylsulfanyl-6-ethylthieno[2,3-d]pyrimidin-4-amine

C13H17N3S2 — CID 70702227

IUPAC2-cyclopentylsulfanyl-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N)nc(SC3CCCC3)nc2s1
InChIInChI=1S/C13H17N3S2/c1-2-8-7-10-11(14)15-13(16-12(10)17-8)18-9-5-3-4-6-9/h7,9H,2-6H2,1H3,(H2,14,15,16)
InChIKeyAJKHBTKDJSCJAL-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.87
Rot. Bonds3

About 2-cyclopentylsulfanyl-6-ethylthieno[2,3-d]pyrimidin-4-amine

2-cyclopentylsulfanyl-6-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 70702227) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-6-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-6-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID70702227
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC Name2-cyclopentylsulfanyl-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N)nc(SC3CCCC3)nc2s1
InChIInChI=1S/C13H17N3S2/c1-2-8-7-10-11(14)15-13(16-12(10)17-8)18-9-5-3-4-6-9/h7,9H,2-6H2,1H3,(H2,14,15,16)
InChIKeyAJKHBTKDJSCJAL-UHFFFAOYSA-N
XLogP3.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-cyclopentylsulfanyl-6-ethylthieno[2,3-d]pyrimidin-4-amine (CID 70702227) is 2-cyclopentylsulfanyl-6-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopentylsulfanyl-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopentylsulfanyl-6-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N)nc(SC3CCCC3)nc2s1.
What is the InChIKey of 2-cyclopentylsulfanyl-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AJKHBTKDJSCJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-2-8-7-10-11(14)15-13(16-12(10)17-8)18-9-5-3-4-6-9/h7,9H,2-6H2,1H3,(H2,14,15,16).
What are the key properties of 2-cyclopentylsulfanyl-6-ethylthieno[2,3-d]pyrimidin-4-amine?
2-cyclopentylsulfanyl-6-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-6-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 70702227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).