2-chloro-6-ethyl-4-(2-pyridin-2-ylethoxy)thieno[2,3-d]pyrimidine

C15H14ClN3OS — CID 103319823

IUPAC2-chloro-6-ethyl-4-(2-pyridin-2-ylethoxy)thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(OCCc3ccccn3)nc(Cl)nc2s1
InChIInChI=1S/C15H14ClN3OS/c1-2-11-9-12-13(18-15(16)19-14(12)21-11)20-8-6-10-5-3-4-7-17-10/h3-5,7,9H,2,6,8H2,1H3
InChIKeyGMGPXAFJXAOEDG-UHFFFAOYSA-N
MW319.82 g/mol
LogP3.92
Rot. Bonds5

About 2-chloro-6-ethyl-4-(2-pyridin-2-ylethoxy)thieno[2,3-d]pyrimidine

2-chloro-6-ethyl-4-(2-pyridin-2-ylethoxy)thieno[2,3-d]pyrimidine (PubChem CID 103319823) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 2-chloro-6-ethyl-4-(2-pyridin-2-ylethoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-ethyl-4-(2-pyridin-2-ylethoxy)thieno[2,3-d]pyrimidine
PubChem CID103319823
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name2-chloro-6-ethyl-4-(2-pyridin-2-ylethoxy)thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(OCCc3ccccn3)nc(Cl)nc2s1
InChIInChI=1S/C15H14ClN3OS/c1-2-11-9-12-13(18-15(16)19-14(12)21-11)20-8-6-10-5-3-4-7-17-10/h3-5,7,9H,2,6,8H2,1H3
InChIKeyGMGPXAFJXAOEDG-UHFFFAOYSA-N
XLogP3.92
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine
CID 103319793
2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319922
2-chloro-6-ethyl-4-(4-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319860
2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine
CID 103320088
4-chloro-5-ethyl-6-(2-pyridin-2-ylethoxy)pyrimidine
CID 63736584
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
3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol
CID 103331610
2-chloro-6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321377
2-benzyl-6-ethyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964818
2-chloro-6-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321311
5-methyl-4-(2-pyridin-2-ylethoxy)pyrimidin-2-amine
CID 80865287

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-4-(2-pyridin-2-ylethoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-ethyl-4-(2-pyridin-2-ylethoxy)thieno[2,3-d]pyrimidine (CID 103319823) is 2-chloro-6-ethyl-4-(2-pyridin-2-ylethoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-ethyl-4-(2-pyridin-2-ylethoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-ethyl-4-(2-pyridin-2-ylethoxy)thieno[2,3-d]pyrimidine is CCc1cc2c(OCCc3ccccn3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-ethyl-4-(2-pyridin-2-ylethoxy)thieno[2,3-d]pyrimidine?
The InChIKey is GMGPXAFJXAOEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-2-11-9-12-13(18-15(16)19-14(12)21-11)20-8-6-10-5-3-4-7-17-10/h3-5,7,9H,2,6,8H2,1H3.
What are the key properties of 2-chloro-6-ethyl-4-(2-pyridin-2-ylethoxy)thieno[2,3-d]pyrimidine?
2-chloro-6-ethyl-4-(2-pyridin-2-ylethoxy)thieno[2,3-d]pyrimidine has a molecular weight of 319.82 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-4-(2-pyridin-2-ylethoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 103319823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).