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

C10H5ClN2OS — CID 43155627

IUPAC4-chloro-6-(furan-2-yl)thieno[3,2-d]pyrimidine
SMILESClc1ncnc2cc(-c3ccco3)sc12
InChIInChI=1S/C10H5ClN2OS/c11-10-9-6(12-5-13-10)4-8(15-9)7-2-1-3-14-7/h1-5H
InChIKeyWTNUEPDAJKILKL-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.60
Rot. Bonds1

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

4-chloro-6-(furan-2-yl)thieno[3,2-d]pyrimidine (PubChem CID 43155627) has the molecular formula C10H5ClN2OS and a molecular weight of 236.68 g/mol. Its IUPAC name is 4-chloro-6-(furan-2-yl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(furan-2-yl)thieno[3,2-d]pyrimidine
PubChem CID43155627
Molecular FormulaC10H5ClN2OS
Molecular Weight236.68 g/mol
Exact Mass235.98
IUPAC Name4-chloro-6-(furan-2-yl)thieno[3,2-d]pyrimidine
SMILESClc1ncnc2cc(-c3ccco3)sc12
InChIInChI=1S/C10H5ClN2OS/c11-10-9-6(12-5-13-10)4-8(15-9)7-2-1-3-14-7/h1-5H
InChIKeyWTNUEPDAJKILKL-UHFFFAOYSA-N
XLogP3.60
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(furan-2-yl)thieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-6-(furan-2-yl)thieno[3,2-d]pyrimidine (CID 43155627) is 4-chloro-6-(furan-2-yl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-(furan-2-yl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-6-(furan-2-yl)thieno[3,2-d]pyrimidine is Clc1ncnc2cc(-c3ccco3)sc12.
What is the InChIKey of 4-chloro-6-(furan-2-yl)thieno[3,2-d]pyrimidine?
The InChIKey is WTNUEPDAJKILKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2OS/c11-10-9-6(12-5-13-10)4-8(15-9)7-2-1-3-14-7/h1-5H.
What are the key properties of 4-chloro-6-(furan-2-yl)thieno[3,2-d]pyrimidine?
4-chloro-6-(furan-2-yl)thieno[3,2-d]pyrimidine has a molecular weight of 236.68 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(furan-2-yl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 43155627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).