6-ethyl-4-pyrrolidin-3-yloxythieno[2,3-d]pyrimidine

C12H15N3OS — CID 62348094

IUPAC6-ethyl-4-pyrrolidin-3-yloxythieno[2,3-d]pyrimidine
SMILESCCc1cc2c(OC3CCNC3)ncnc2s1
InChIInChI=1S/C12H15N3OS/c1-2-9-5-10-11(14-7-15-12(10)17-9)16-8-3-4-13-6-8/h5,7-8,13H,2-4,6H2,1H3
InChIKeyCHCSWNIWPGHAFM-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.99
Rot. Bonds3

About 6-ethyl-4-pyrrolidin-3-yloxythieno[2,3-d]pyrimidine

6-ethyl-4-pyrrolidin-3-yloxythieno[2,3-d]pyrimidine (PubChem CID 62348094) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 6-ethyl-4-pyrrolidin-3-yloxythieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-4-pyrrolidin-3-yloxythieno[2,3-d]pyrimidine
PubChem CID62348094
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name6-ethyl-4-pyrrolidin-3-yloxythieno[2,3-d]pyrimidine
SMILESCCc1cc2c(OC3CCNC3)ncnc2s1
InChIInChI=1S/C12H15N3OS/c1-2-9-5-10-11(14-7-15-12(10)17-9)16-8-3-4-13-6-8/h5,7-8,13H,2-4,6H2,1H3
InChIKeyCHCSWNIWPGHAFM-UHFFFAOYSA-N
XLogP1.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-pyrrolidin-3-yloxythieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-4-pyrrolidin-3-yloxythieno[2,3-d]pyrimidine (CID 62348094) is 6-ethyl-4-pyrrolidin-3-yloxythieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-4-pyrrolidin-3-yloxythieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-4-pyrrolidin-3-yloxythieno[2,3-d]pyrimidine is CCc1cc2c(OC3CCNC3)ncnc2s1.
What is the InChIKey of 6-ethyl-4-pyrrolidin-3-yloxythieno[2,3-d]pyrimidine?
The InChIKey is CHCSWNIWPGHAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-9-5-10-11(14-7-15-12(10)17-9)16-8-3-4-13-6-8/h5,7-8,13H,2-4,6H2,1H3.
What are the key properties of 6-ethyl-4-pyrrolidin-3-yloxythieno[2,3-d]pyrimidine?
6-ethyl-4-pyrrolidin-3-yloxythieno[2,3-d]pyrimidine has a molecular weight of 249.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-pyrrolidin-3-yloxythieno[2,3-d]pyrimidine is sourced from PubChem (CID 62348094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).