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

C8H7ClN2S — CID 10703140

IUPAC4-chloro-2-ethylthieno[3,2-d]pyrimidine
SMILESCCc1nc(Cl)c2sccc2n1
InChIInChI=1S/C8H7ClN2S/c1-2-6-10-5-3-4-12-7(5)8(9)11-6/h3-4H,2H2,1H3
InChIKeyMMMNKOCOCDWGIE-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.91
Rot. Bonds1

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

4-chloro-2-ethylthieno[3,2-d]pyrimidine (PubChem CID 10703140) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 4-chloro-2-ethylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethylthieno[3,2-d]pyrimidine
PubChem CID10703140
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name4-chloro-2-ethylthieno[3,2-d]pyrimidine
SMILESCCc1nc(Cl)c2sccc2n1
InChIInChI=1S/C8H7ClN2S/c1-2-6-10-5-3-4-12-7(5)8(9)11-6/h3-4H,2H2,1H3
InChIKeyMMMNKOCOCDWGIE-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2-ethylthieno[3,2-d]pyrimidine (CID 10703140) is 4-chloro-2-ethylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-ethylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2-ethylthieno[3,2-d]pyrimidine is CCc1nc(Cl)c2sccc2n1.
What is the InChIKey of 4-chloro-2-ethylthieno[3,2-d]pyrimidine?
The InChIKey is MMMNKOCOCDWGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-2-6-10-5-3-4-12-7(5)8(9)11-6/h3-4H,2H2,1H3.
What are the key properties of 4-chloro-2-ethylthieno[3,2-d]pyrimidine?
4-chloro-2-ethylthieno[3,2-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-2-ethylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 10703140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).