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

C12H5Cl2FN2S — CID 63034900

IUPAC4-chloro-2-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidine
SMILESFc1c(Cl)cccc1-c1nc(Cl)c2ccsc2n1
InChIInChI=1S/C12H5Cl2FN2S/c13-8-3-1-2-6(9(8)15)11-16-10(14)7-4-5-18-12(7)17-11/h1-5H
InChIKeyUVRLYIMPRKLUBW-UHFFFAOYSA-N
MW299.16 g/mol
LogP4.80
Rot. Bonds1

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

4-chloro-2-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidine (PubChem CID 63034900) has the molecular formula C12H5Cl2FN2S and a molecular weight of 299.16 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidine
PubChem CID63034900
Molecular FormulaC12H5Cl2FN2S
Molecular Weight299.16 g/mol
Exact Mass297.95
IUPAC Name4-chloro-2-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidine
SMILESFc1c(Cl)cccc1-c1nc(Cl)c2ccsc2n1
InChIInChI=1S/C12H5Cl2FN2S/c13-8-3-1-2-6(9(8)15)11-16-10(14)7-4-5-18-12(7)17-11/h1-5H
InChIKeyUVRLYIMPRKLUBW-UHFFFAOYSA-N
XLogP4.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidine (CID 63034900) is 4-chloro-2-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidine is Fc1c(Cl)cccc1-c1nc(Cl)c2ccsc2n1.
What is the InChIKey of 4-chloro-2-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidine?
The InChIKey is UVRLYIMPRKLUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2FN2S/c13-8-3-1-2-6(9(8)15)11-16-10(14)7-4-5-18-12(7)17-11/h1-5H.
What are the key properties of 4-chloro-2-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidine?
4-chloro-2-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidine has a molecular weight of 299.16 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 63034900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).