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

C12H5ClF2N2S — CID 43332794

IUPAC4-chloro-6-(3,4-difluorophenyl)thieno[3,2-d]pyrimidine
SMILESFc1ccc(-c2cc3ncnc(Cl)c3s2)cc1F
InChIInChI=1S/C12H5ClF2N2S/c13-12-11-9(16-5-17-12)4-10(18-11)6-1-2-7(14)8(15)3-6/h1-5H
InChIKeyCIUTYWMTRIKPLK-UHFFFAOYSA-N
MW282.70 g/mol
LogP4.29
Rot. Bonds1

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

4-chloro-6-(3,4-difluorophenyl)thieno[3,2-d]pyrimidine (PubChem CID 43332794) has the molecular formula C12H5ClF2N2S and a molecular weight of 282.70 g/mol. Its IUPAC name is 4-chloro-6-(3,4-difluorophenyl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,4-difluorophenyl)thieno[3,2-d]pyrimidine
PubChem CID43332794
Molecular FormulaC12H5ClF2N2S
Molecular Weight282.70 g/mol
Exact Mass281.98
IUPAC Name4-chloro-6-(3,4-difluorophenyl)thieno[3,2-d]pyrimidine
SMILESFc1ccc(-c2cc3ncnc(Cl)c3s2)cc1F
InChIInChI=1S/C12H5ClF2N2S/c13-12-11-9(16-5-17-12)4-10(18-11)6-1-2-7(14)8(15)3-6/h1-5H
InChIKeyCIUTYWMTRIKPLK-UHFFFAOYSA-N
XLogP4.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,4-difluorophenyl)thieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-6-(3,4-difluorophenyl)thieno[3,2-d]pyrimidine (CID 43332794) is 4-chloro-6-(3,4-difluorophenyl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-(3,4-difluorophenyl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-6-(3,4-difluorophenyl)thieno[3,2-d]pyrimidine is Fc1ccc(-c2cc3ncnc(Cl)c3s2)cc1F.
What is the InChIKey of 4-chloro-6-(3,4-difluorophenyl)thieno[3,2-d]pyrimidine?
The InChIKey is CIUTYWMTRIKPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF2N2S/c13-12-11-9(16-5-17-12)4-10(18-11)6-1-2-7(14)8(15)3-6/h1-5H.
What are the key properties of 4-chloro-6-(3,4-difluorophenyl)thieno[3,2-d]pyrimidine?
4-chloro-6-(3,4-difluorophenyl)thieno[3,2-d]pyrimidine has a molecular weight of 282.70 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,4-difluorophenyl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 43332794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).