2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine

C13H9Cl2N3OS — CID 103320133

IUPAC2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(Oc3cncc(Cl)c3)nc(Cl)nc2s1
InChIInChI=1S/C13H9Cl2N3OS/c1-2-9-4-10-11(17-13(15)18-12(10)20-9)19-8-3-7(14)5-16-6-8/h3-6H,2H2,1H3
InChIKeyGKEGQUGRMKVWPM-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.75
Rot. Bonds3

About 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine

2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 103320133) has the molecular formula C13H9Cl2N3OS and a molecular weight of 326.21 g/mol. Its IUPAC name is 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine
PubChem CID103320133
Molecular FormulaC13H9Cl2N3OS
Molecular Weight326.21 g/mol
Exact Mass324.98
IUPAC Name2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(Oc3cncc(Cl)c3)nc(Cl)nc2s1
InChIInChI=1S/C13H9Cl2N3OS/c1-2-9-4-10-11(17-13(15)18-12(10)20-9)19-8-3-7(14)5-16-6-8/h3-6H,2H2,1H3
InChIKeyGKEGQUGRMKVWPM-UHFFFAOYSA-N
XLogP4.75
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-ethyl-4-(4-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319860
4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103320225
2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319922
2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine
CID 103320088
6-ethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331942
4-(4-bromo-2-fluorophenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103319978
2-chloro-4-(2,6-dimethyloxan-4-yl)oxy-6-ethylthieno[2,3-d]pyrimidine
CID 103320232
4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331829
2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine
CID 103319793
4-[(5-chloro-3-pyridinyl)oxy]-2-ethylthieno[2,3-d]pyrimidine
CID 133418139
4-(2-butoxyethoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103319783
2-chloro-6-ethyl-4-(3-ethylcyclohexyl)oxythieno[2,3-d]pyrimidine
CID 103320131

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine (CID 103320133) is 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine is CCc1cc2c(Oc3cncc(Cl)c3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is GKEGQUGRMKVWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3OS/c1-2-9-4-10-11(17-13(15)18-12(10)20-9)19-8-3-7(14)5-16-6-8/h3-6H,2H2,1H3.
What are the key properties of 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine?
2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 326.21 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(5-chloro-3-pyridinyl)oxy]-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 103320133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).