4-chloro-6-ethylthieno[2,3-d]pyrimidine

C8H7ClN2S — CID 916176

IUPAC4-chloro-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(Cl)ncnc2s1
InChIInChI=1S/C8H7ClN2S/c1-2-5-3-6-7(9)10-4-11-8(6)12-5/h3-4H,2H2,1H3
InChIKeyIYTRSBKGPIDYHI-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.91
Rot. Bonds1

About 4-chloro-6-ethylthieno[2,3-d]pyrimidine

4-chloro-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 916176) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 4-chloro-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethylthieno[2,3-d]pyrimidine
PubChem CID916176
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name4-chloro-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(Cl)ncnc2s1
InChIInChI=1S/C8H7ClN2S/c1-2-5-3-6-7(9)10-4-11-8(6)12-5/h3-4H,2H2,1H3
InChIKeyIYTRSBKGPIDYHI-UHFFFAOYSA-N
XLogP2.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-5-(4-chlorophenyl)thieno(2,3-d)pyrimidine
CID 708755
4-Chloro-5-(4-fluorophenyl)thieno(2,3-d)pyrimidine
CID 2782911
4-Chloro-5-phenylthieno[2,3-d]pyrimidine
CID 708730
12-Chloro-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraene
CID 789817
5,6-Dimethyl-4-(methylsulfanyl)thieno[2,3-D]pyrimidine
CID 865968
4-Chloro-5-(4-methylphenyl)thieno(2,3-d)pyrimidine
CID 708732
4-Chloro-5,6-dimethylthieno(2,3-d)pyrimidine
CID 290212
3-Chloro-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
CID 699515
4-Chloro-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 704026
4-Benzylsulfanylthieno[2,3-d]pyrimidine
CID 710987
N-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine hydrochloride
CID 2972450
N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-4-amine hydrochloride
CID 2973574

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-6-ethylthieno[2,3-d]pyrimidine (CID 916176) is 4-chloro-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-6-ethylthieno[2,3-d]pyrimidine is CCc1cc2c(Cl)ncnc2s1.
What is the InChIKey of 4-chloro-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is IYTRSBKGPIDYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-2-5-3-6-7(9)10-4-11-8(6)12-5/h3-4H,2H2,1H3.
What are the key properties of 4-chloro-6-ethylthieno[2,3-d]pyrimidine?
4-chloro-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 198.68 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 916176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).