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

C13H8ClFN2OS — CID 65433652

IUPAC4-chloro-6-(2-fluoro-6-methoxyphenyl)thieno[3,2-d]pyrimidine
SMILESCOc1cccc(F)c1-c1cc2ncnc(Cl)c2s1
InChIInChI=1S/C13H8ClFN2OS/c1-18-9-4-2-3-7(15)11(9)10-5-8-12(19-10)13(14)17-6-16-8/h2-6H,1H3
InChIKeyVADVGYBBDBVMQX-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.16
Rot. Bonds2

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

4-chloro-6-(2-fluoro-6-methoxyphenyl)thieno[3,2-d]pyrimidine (PubChem CID 65433652) has the molecular formula C13H8ClFN2OS and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-chloro-6-(2-fluoro-6-methoxyphenyl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-fluoro-6-methoxyphenyl)thieno[3,2-d]pyrimidine
PubChem CID65433652
Molecular FormulaC13H8ClFN2OS
Molecular Weight294.74 g/mol
Exact Mass294.00
IUPAC Name4-chloro-6-(2-fluoro-6-methoxyphenyl)thieno[3,2-d]pyrimidine
SMILESCOc1cccc(F)c1-c1cc2ncnc(Cl)c2s1
InChIInChI=1S/C13H8ClFN2OS/c1-18-9-4-2-3-7(15)11(9)10-5-8-12(19-10)13(14)17-6-16-8/h2-6H,1H3
InChIKeyVADVGYBBDBVMQX-UHFFFAOYSA-N
XLogP4.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 54.16
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-fluoro-6-methoxyphenyl)thieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-6-(2-fluoro-6-methoxyphenyl)thieno[3,2-d]pyrimidine (CID 65433652) is 4-chloro-6-(2-fluoro-6-methoxyphenyl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-(2-fluoro-6-methoxyphenyl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-6-(2-fluoro-6-methoxyphenyl)thieno[3,2-d]pyrimidine is COc1cccc(F)c1-c1cc2ncnc(Cl)c2s1.
What is the InChIKey of 4-chloro-6-(2-fluoro-6-methoxyphenyl)thieno[3,2-d]pyrimidine?
The InChIKey is VADVGYBBDBVMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2OS/c1-18-9-4-2-3-7(15)11(9)10-5-8-12(19-10)13(14)17-6-16-8/h2-6H,1H3.
What are the key properties of 4-chloro-6-(2-fluoro-6-methoxyphenyl)thieno[3,2-d]pyrimidine?
4-chloro-6-(2-fluoro-6-methoxyphenyl)thieno[3,2-d]pyrimidine has a molecular weight of 294.74 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-fluoro-6-methoxyphenyl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 65433652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).