4-chloro-6-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidine-7-carbaldehyde

C15H10ClFN2O2S — CID 87687887

IUPAC4-chloro-6-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidine-7-carbaldehyde
SMILESCCOc1cc(F)ccc1-c1sc2c(Cl)ncnc2c1C=O
InChIInChI=1S/C15H10ClFN2O2S/c1-2-21-11-5-8(17)3-4-9(11)13-10(6-20)12-14(22-13)15(16)19-7-18-12/h3-7H,2H2,1H3
InChIKeyGFFSYCWRGLAVJA-UHFFFAOYSA-N
MW336.78 g/mol
LogP4.36
Rot. Bonds4

About 4-chloro-6-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidine-7-carbaldehyde

4-chloro-6-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidine-7-carbaldehyde (PubChem CID 87687887) has the molecular formula C15H10ClFN2O2S and a molecular weight of 336.78 g/mol. Its IUPAC name is 4-chloro-6-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidine-7-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidine-7-carbaldehyde
PubChem CID87687887
Molecular FormulaC15H10ClFN2O2S
Molecular Weight336.78 g/mol
Exact Mass336.01
IUPAC Name4-chloro-6-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidine-7-carbaldehyde
SMILESCCOc1cc(F)ccc1-c1sc2c(Cl)ncnc2c1C=O
InChIInChI=1S/C15H10ClFN2O2S/c1-2-21-11-5-8(17)3-4-9(11)13-10(6-20)12-14(22-13)15(16)19-7-18-12/h3-7H,2H2,1H3
InChIKeyGFFSYCWRGLAVJA-UHFFFAOYSA-N
XLogP4.36
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidine-7-carbaldehyde?
The IUPAC name of 4-chloro-6-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidine-7-carbaldehyde (CID 87687887) is 4-chloro-6-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidine-7-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidine-7-carbaldehyde?
The canonical SMILES for 4-chloro-6-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidine-7-carbaldehyde is CCOc1cc(F)ccc1-c1sc2c(Cl)ncnc2c1C=O.
What is the InChIKey of 4-chloro-6-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidine-7-carbaldehyde?
The InChIKey is GFFSYCWRGLAVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2S/c1-2-21-11-5-8(17)3-4-9(11)13-10(6-20)12-14(22-13)15(16)19-7-18-12/h3-7H,2H2,1H3.
What are the key properties of 4-chloro-6-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidine-7-carbaldehyde?
4-chloro-6-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidine-7-carbaldehyde has a molecular weight of 336.78 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidine-7-carbaldehyde is sourced from PubChem (CID 87687887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).