4-chloro-5-ethyl-5,7-dihydrothieno[3,4-d]pyrimidine

C8H9ClN2S — CID 86675326

IUPAC4-chloro-5-ethyl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCCC1SCc2ncnc(Cl)c21
InChIInChI=1S/C8H9ClN2S/c1-2-6-7-5(3-12-6)10-4-11-8(7)9/h4,6H,2-3H2,1H3
InChIKeyMYTBIUHXUOTNRA-UHFFFAOYSA-N
MW200.69 g/mol
LogP2.83
Rot. Bonds1

About 4-chloro-5-ethyl-5,7-dihydrothieno[3,4-d]pyrimidine

4-chloro-5-ethyl-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 86675326) has the molecular formula C8H9ClN2S and a molecular weight of 200.69 g/mol. Its IUPAC name is 4-chloro-5-ethyl-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID86675326
Molecular FormulaC8H9ClN2S
Molecular Weight200.69 g/mol
Exact Mass200.02
IUPAC Name4-chloro-5-ethyl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCCC1SCc2ncnc(Cl)c21
InChIInChI=1S/C8H9ClN2S/c1-2-6-7-5(3-12-6)10-4-11-8(7)9/h4,6H,2-3H2,1H3
InChIKeyMYTBIUHXUOTNRA-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-5,7-dihydrothieno[3,4-d]pyrimidine (CID 86675326) is 4-chloro-5-ethyl-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-5,7-dihydrothieno[3,4-d]pyrimidine is CCC1SCc2ncnc(Cl)c21.
What is the InChIKey of 4-chloro-5-ethyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is MYTBIUHXUOTNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2S/c1-2-6-7-5(3-12-6)10-4-11-8(7)9/h4,6H,2-3H2,1H3.
What are the key properties of 4-chloro-5-ethyl-5,7-dihydrothieno[3,4-d]pyrimidine?
4-chloro-5-ethyl-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 200.69 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 86675326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).