5-chloro-4-methoxythieno[2,3-d]pyrimidine

C7H5ClN2OS — CID 15745772

IUPAC5-chloro-4-methoxythieno[2,3-d]pyrimidine
SMILESCOc1ncnc2scc(Cl)c12
InChIInChI=1S/C7H5ClN2OS/c1-11-6-5-4(8)2-12-7(5)10-3-9-6/h2-3H,1H3
InChIKeyPGENGSBGAUZRNB-UHFFFAOYSA-N
MW200.65 g/mol
LogP2.35
Rot. Bonds1

About 5-chloro-4-methoxythieno[2,3-d]pyrimidine

5-chloro-4-methoxythieno[2,3-d]pyrimidine (PubChem CID 15745772) has the molecular formula C7H5ClN2OS and a molecular weight of 200.65 g/mol. Its IUPAC name is 5-chloro-4-methoxythieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-4-methoxythieno[2,3-d]pyrimidine
PubChem CID15745772
Molecular FormulaC7H5ClN2OS
Molecular Weight200.65 g/mol
Exact Mass199.98
IUPAC Name5-chloro-4-methoxythieno[2,3-d]pyrimidine
SMILESCOc1ncnc2scc(Cl)c12
InChIInChI=1S/C7H5ClN2OS/c1-11-6-5-4(8)2-12-7(5)10-3-9-6/h2-3H,1H3
InChIKeyPGENGSBGAUZRNB-UHFFFAOYSA-N
XLogP2.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.65
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxythieno[2,3-d]pyrimidine?
The IUPAC name of 5-chloro-4-methoxythieno[2,3-d]pyrimidine (CID 15745772) is 5-chloro-4-methoxythieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-chloro-4-methoxythieno[2,3-d]pyrimidine?
The canonical SMILES for 5-chloro-4-methoxythieno[2,3-d]pyrimidine is COc1ncnc2scc(Cl)c12.
What is the InChIKey of 5-chloro-4-methoxythieno[2,3-d]pyrimidine?
The InChIKey is PGENGSBGAUZRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2OS/c1-11-6-5-4(8)2-12-7(5)10-3-9-6/h2-3H,1H3.
What are the key properties of 5-chloro-4-methoxythieno[2,3-d]pyrimidine?
5-chloro-4-methoxythieno[2,3-d]pyrimidine has a molecular weight of 200.65 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxythieno[2,3-d]pyrimidine is sourced from PubChem (CID 15745772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).