2-chloro-4-ethoxythieno[2,3-d]pyrimidine

C8H7ClN2OS — CID 103319715

IUPAC2-chloro-4-ethoxythieno[2,3-d]pyrimidine
SMILESCCOc1nc(Cl)nc2sccc12
InChIInChI=1S/C8H7ClN2OS/c1-2-12-6-5-3-4-13-7(5)11-8(9)10-6/h3-4H,2H2,1H3
InChIKeyWQYNBXPPYRVQMQ-UHFFFAOYSA-N
MW214.68 g/mol
LogP2.74
Rot. Bonds2

About 2-chloro-4-ethoxythieno[2,3-d]pyrimidine

2-chloro-4-ethoxythieno[2,3-d]pyrimidine (PubChem CID 103319715) has the molecular formula C8H7ClN2OS and a molecular weight of 214.68 g/mol. Its IUPAC name is 2-chloro-4-ethoxythieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-ethoxythieno[2,3-d]pyrimidine
PubChem CID103319715
Molecular FormulaC8H7ClN2OS
Molecular Weight214.68 g/mol
Exact Mass214.00
IUPAC Name2-chloro-4-ethoxythieno[2,3-d]pyrimidine
SMILESCCOc1nc(Cl)nc2sccc12
InChIInChI=1S/C8H7ClN2OS/c1-2-12-6-5-3-4-13-7(5)11-8(9)10-6/h3-4H,2H2,1H3
InChIKeyWQYNBXPPYRVQMQ-UHFFFAOYSA-N
XLogP2.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine
CID 103319718
2,4-diethoxythieno[2,3-d]pyrimidine
CID 119087931
2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine
CID 103320209
2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine
CID 103319903
2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 103319866
2-chloro-4-(oxan-2-ylmethoxy)thieno[2,3-d]pyrimidine
CID 103319749
2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine
CID 103320173
4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine
CID 103319776
4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine
CID 107098065
2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321385
2-chloro-N-(2-ethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322599
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103320619

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxythieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-ethoxythieno[2,3-d]pyrimidine (CID 103319715) is 2-chloro-4-ethoxythieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-ethoxythieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-ethoxythieno[2,3-d]pyrimidine is CCOc1nc(Cl)nc2sccc12.
What is the InChIKey of 2-chloro-4-ethoxythieno[2,3-d]pyrimidine?
The InChIKey is WQYNBXPPYRVQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2OS/c1-2-12-6-5-3-4-13-7(5)11-8(9)10-6/h3-4H,2H2,1H3.
What are the key properties of 2-chloro-4-ethoxythieno[2,3-d]pyrimidine?
2-chloro-4-ethoxythieno[2,3-d]pyrimidine has a molecular weight of 214.68 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxythieno[2,3-d]pyrimidine is sourced from PubChem (CID 103319715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).