4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine

C13H11ClN4S — CID 71716959

IUPAC4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1cc2c(Cl)nc(Sc3cccnc3)nc2[nH]1
InChIInChI=1S/C13H11ClN4S/c1-2-8-6-10-11(14)17-13(18-12(10)16-8)19-9-4-3-5-15-7-9/h3-7H,2H2,1H3,(H,16,17,18)
InChIKeyFLGQJQIQHUJABK-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.72
Rot. Bonds3

About 4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine

4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 71716959) has the molecular formula C13H11ClN4S and a molecular weight of 290.78 g/mol. Its IUPAC name is 4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID71716959
Molecular FormulaC13H11ClN4S
Molecular Weight290.78 g/mol
Exact Mass290.04
IUPAC Name4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1cc2c(Cl)nc(Sc3cccnc3)nc2[nH]1
InChIInChI=1S/C13H11ClN4S/c1-2-8-6-10-11(14)17-13(18-12(10)16-8)19-9-4-3-5-15-7-9/h3-7H,2H2,1H3,(H,16,17,18)
InChIKeyFLGQJQIQHUJABK-UHFFFAOYSA-N
XLogP3.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine (CID 71716959) is 4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine is CCc1cc2c(Cl)nc(Sc3cccnc3)nc2[nH]1.
What is the InChIKey of 4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is FLGQJQIQHUJABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4S/c1-2-8-6-10-11(14)17-13(18-12(10)16-8)19-9-4-3-5-15-7-9/h3-7H,2H2,1H3,(H,16,17,18).
What are the key properties of 4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 290.78 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 71716959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).