4-chloro-6-(5-ethylfuran-2-yl)thieno[3,2-d]pyrimidine

C12H9ClN2OS — CID 79093986

IUPAC4-chloro-6-(5-ethylfuran-2-yl)thieno[3,2-d]pyrimidine
SMILESCCc1ccc(-c2cc3ncnc(Cl)c3s2)o1
InChIInChI=1S/C12H9ClN2OS/c1-2-7-3-4-9(16-7)10-5-8-11(17-10)12(13)15-6-14-8/h3-6H,2H2,1H3
InChIKeySYCQMVBQJYLWGO-UHFFFAOYSA-N
MW264.74 g/mol
LogP4.17
Rot. Bonds2

About 4-chloro-6-(5-ethylfuran-2-yl)thieno[3,2-d]pyrimidine

4-chloro-6-(5-ethylfuran-2-yl)thieno[3,2-d]pyrimidine (PubChem CID 79093986) has the molecular formula C12H9ClN2OS and a molecular weight of 264.74 g/mol. Its IUPAC name is 4-chloro-6-(5-ethylfuran-2-yl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(5-ethylfuran-2-yl)thieno[3,2-d]pyrimidine
PubChem CID79093986
Molecular FormulaC12H9ClN2OS
Molecular Weight264.74 g/mol
Exact Mass264.01
IUPAC Name4-chloro-6-(5-ethylfuran-2-yl)thieno[3,2-d]pyrimidine
SMILESCCc1ccc(-c2cc3ncnc(Cl)c3s2)o1
InChIInChI=1S/C12H9ClN2OS/c1-2-7-3-4-9(16-7)10-5-8-11(17-10)12(13)15-6-14-8/h3-6H,2H2,1H3
InChIKeySYCQMVBQJYLWGO-UHFFFAOYSA-N
XLogP4.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(5-ethylfuran-2-yl)thieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-6-(5-ethylfuran-2-yl)thieno[3,2-d]pyrimidine (CID 79093986) is 4-chloro-6-(5-ethylfuran-2-yl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-(5-ethylfuran-2-yl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-6-(5-ethylfuran-2-yl)thieno[3,2-d]pyrimidine is CCc1ccc(-c2cc3ncnc(Cl)c3s2)o1.
What is the InChIKey of 4-chloro-6-(5-ethylfuran-2-yl)thieno[3,2-d]pyrimidine?
The InChIKey is SYCQMVBQJYLWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2OS/c1-2-7-3-4-9(16-7)10-5-8-11(17-10)12(13)15-6-14-8/h3-6H,2H2,1H3.
What are the key properties of 4-chloro-6-(5-ethylfuran-2-yl)thieno[3,2-d]pyrimidine?
4-chloro-6-(5-ethylfuran-2-yl)thieno[3,2-d]pyrimidine has a molecular weight of 264.74 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(5-ethylfuran-2-yl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 79093986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).