6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine

C13H15N7S — CID 146104926

IUPAC6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCC(c4nn[nH]n4)C3)ncnc2s1
InChIInChI=1S/C13H15N7S/c1-2-9-5-10-12(14-7-15-13(10)21-9)20-4-3-8(6-20)11-16-18-19-17-11/h5,7-8H,2-4,6H2,1H3,(H,16,17,18,19)
InChIKeyUMCBDAVGSLNEKX-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.76
Rot. Bonds3

About 6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine

6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 146104926) has the molecular formula C13H15N7S and a molecular weight of 301.38 g/mol. Its IUPAC name is 6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID146104926
Molecular FormulaC13H15N7S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCC(c4nn[nH]n4)C3)ncnc2s1
InChIInChI=1S/C13H15N7S/c1-2-9-5-10-12(14-7-15-13(10)21-9)20-4-3-8(6-20)11-16-18-19-17-11/h5,7-8H,2-4,6H2,1H3,(H,16,17,18,19)
InChIKeyUMCBDAVGSLNEKX-UHFFFAOYSA-N
XLogP1.76
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine (CID 146104926) is 6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine is CCc1cc2c(N3CCC(c4nn[nH]n4)C3)ncnc2s1.
What is the InChIKey of 6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is UMCBDAVGSLNEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7S/c1-2-9-5-10-12(14-7-15-13(10)21-9)20-4-3-8(6-20)11-16-18-19-17-11/h5,7-8H,2-4,6H2,1H3,(H,16,17,18,19).
What are the key properties of 6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 301.38 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 146104926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).