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

C12H9ClN2OS — CID 43155613

IUPAC4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine
SMILESCc1cc(-c2cc3ncnc(Cl)c3s2)c(C)o1
InChIInChI=1S/C12H9ClN2OS/c1-6-3-8(7(2)16-6)10-4-9-11(17-10)12(13)15-5-14-9/h3-5H,1-2H3
InChIKeyOAYABIIOALAYNF-UHFFFAOYSA-N
MW264.74 g/mol
LogP4.22
Rot. Bonds1

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

4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine (PubChem CID 43155613) has the molecular formula C12H9ClN2OS and a molecular weight of 264.74 g/mol. Its IUPAC name is 4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine
PubChem CID43155613
Molecular FormulaC12H9ClN2OS
Molecular Weight264.74 g/mol
Exact Mass264.01
IUPAC Name4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine
SMILESCc1cc(-c2cc3ncnc(Cl)c3s2)c(C)o1
InChIInChI=1S/C12H9ClN2OS/c1-6-3-8(7(2)16-6)10-4-9-11(17-10)12(13)15-5-14-9/h3-5H,1-2H3
InChIKeyOAYABIIOALAYNF-UHFFFAOYSA-N
XLogP4.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine (CID 43155613) is 4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine is Cc1cc(-c2cc3ncnc(Cl)c3s2)c(C)o1.
What is the InChIKey of 4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine?
The InChIKey is OAYABIIOALAYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2OS/c1-6-3-8(7(2)16-6)10-4-9-11(17-10)12(13)15-5-14-9/h3-5H,1-2H3.
What are the key properties of 4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine?
4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine has a molecular weight of 264.74 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 43155613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).