4-(2-phenoxyethoxy)thieno[2,3-d]pyrimidine

C14H12N2O2S — CID 2117015

IUPAC4-(2-phenoxyethoxy)thieno[2,3-d]pyrimidine
SMILESc1ccc(OCCOc2ncnc3sccc23)cc1
InChIInChI=1S/C14H12N2O2S/c1-2-4-11(5-3-1)17-7-8-18-13-12-6-9-19-14(12)16-10-15-13/h1-6,9-10H,7-8H2
InChIKeyLTGAVBGGCPXYJN-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.15
Rot. Bonds5

About 4-(2-phenoxyethoxy)thieno[2,3-d]pyrimidine

4-(2-phenoxyethoxy)thieno[2,3-d]pyrimidine (PubChem CID 2117015) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-(2-phenoxyethoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-phenoxyethoxy)thieno[2,3-d]pyrimidine
PubChem CID2117015
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name4-(2-phenoxyethoxy)thieno[2,3-d]pyrimidine
SMILESc1ccc(OCCOc2ncnc3sccc23)cc1
InChIInChI=1S/C14H12N2O2S/c1-2-4-11(5-3-1)17-7-8-18-13-12-6-9-19-14(12)16-10-15-13/h1-6,9-10H,7-8H2
InChIKeyLTGAVBGGCPXYJN-UHFFFAOYSA-N
XLogP3.15
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxyethoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-phenoxyethoxy)thieno[2,3-d]pyrimidine (CID 2117015) is 4-(2-phenoxyethoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-phenoxyethoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-phenoxyethoxy)thieno[2,3-d]pyrimidine is c1ccc(OCCOc2ncnc3sccc23)cc1.
What is the InChIKey of 4-(2-phenoxyethoxy)thieno[2,3-d]pyrimidine?
The InChIKey is LTGAVBGGCPXYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-2-4-11(5-3-1)17-7-8-18-13-12-6-9-19-14(12)16-10-15-13/h1-6,9-10H,7-8H2.
What are the key properties of 4-(2-phenoxyethoxy)thieno[2,3-d]pyrimidine?
4-(2-phenoxyethoxy)thieno[2,3-d]pyrimidine has a molecular weight of 272.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxyethoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 2117015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).