4-chloro-2-ethyl-7-methylthieno[3,2-d]pyrimidine

C9H9ClN2S — CID 130051346

IUPAC4-chloro-2-ethyl-7-methylthieno[3,2-d]pyrimidine
SMILESCCc1nc(Cl)c2scc(C)c2n1
InChIInChI=1S/C9H9ClN2S/c1-3-6-11-7-5(2)4-13-8(7)9(10)12-6/h4H,3H2,1-2H3
InChIKeyRDWCQBKHSLIARC-UHFFFAOYSA-N
MW212.70 g/mol
LogP3.22
Rot. Bonds1

About 4-chloro-2-ethyl-7-methylthieno[3,2-d]pyrimidine

4-chloro-2-ethyl-7-methylthieno[3,2-d]pyrimidine (PubChem CID 130051346) has the molecular formula C9H9ClN2S and a molecular weight of 212.70 g/mol. Its IUPAC name is 4-chloro-2-ethyl-7-methylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-7-methylthieno[3,2-d]pyrimidine
PubChem CID130051346
Molecular FormulaC9H9ClN2S
Molecular Weight212.70 g/mol
Exact Mass212.02
IUPAC Name4-chloro-2-ethyl-7-methylthieno[3,2-d]pyrimidine
SMILESCCc1nc(Cl)c2scc(C)c2n1
InChIInChI=1S/C9H9ClN2S/c1-3-6-11-7-5(2)4-13-8(7)9(10)12-6/h4H,3H2,1-2H3
InChIKeyRDWCQBKHSLIARC-UHFFFAOYSA-N
XLogP3.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-7-methylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-7-methylthieno[3,2-d]pyrimidine (CID 130051346) is 4-chloro-2-ethyl-7-methylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-7-methylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-7-methylthieno[3,2-d]pyrimidine is CCc1nc(Cl)c2scc(C)c2n1.
What is the InChIKey of 4-chloro-2-ethyl-7-methylthieno[3,2-d]pyrimidine?
The InChIKey is RDWCQBKHSLIARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S/c1-3-6-11-7-5(2)4-13-8(7)9(10)12-6/h4H,3H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-7-methylthieno[3,2-d]pyrimidine?
4-chloro-2-ethyl-7-methylthieno[3,2-d]pyrimidine has a molecular weight of 212.70 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-7-methylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 130051346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).