4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine

C14H9ClF2N2S — CID 63663426

IUPAC4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(Cl)nc(-c3cc(F)ccc3F)nc2s1
InChIInChI=1S/C14H9ClF2N2S/c1-2-8-6-10-12(15)18-13(19-14(10)20-8)9-5-7(16)3-4-11(9)17/h3-6H,2H2,1H3
InChIKeyUOXWVONOTHVUGV-UHFFFAOYSA-N
MW310.76 g/mol
LogP4.85
Rot. Bonds2

About 4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine

4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 63663426) has the molecular formula C14H9ClF2N2S and a molecular weight of 310.76 g/mol. Its IUPAC name is 4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine
PubChem CID63663426
Molecular FormulaC14H9ClF2N2S
Molecular Weight310.76 g/mol
Exact Mass310.01
IUPAC Name4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(Cl)nc(-c3cc(F)ccc3F)nc2s1
InChIInChI=1S/C14H9ClF2N2S/c1-2-8-6-10-12(15)18-13(19-14(10)20-8)9-5-7(16)3-4-11(9)17/h3-6H,2H2,1H3
InChIKeyUOXWVONOTHVUGV-UHFFFAOYSA-N
XLogP4.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine (CID 63663426) is 4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine is CCc1cc2c(Cl)nc(-c3cc(F)ccc3F)nc2s1.
What is the InChIKey of 4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is UOXWVONOTHVUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2S/c1-2-8-6-10-12(15)18-13(19-14(10)20-8)9-5-7(16)3-4-11(9)17/h3-6H,2H2,1H3.
What are the key properties of 4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine?
4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 310.76 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 63663426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).