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

C17H11N3O2S — CID 51112668

IUPAC4-(4-pyridin-2-yloxyphenoxy)thieno[2,3-d]pyrimidine
SMILESc1ccc(Oc2ccc(Oc3ncnc4sccc34)cc2)nc1
InChIInChI=1S/C17H11N3O2S/c1-2-9-18-15(3-1)21-12-4-6-13(7-5-12)22-16-14-8-10-23-17(14)20-11-19-16/h1-11H
InChIKeyBDAFDPNLFUBHII-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.67
Rot. Bonds4

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

4-(4-pyridin-2-yloxyphenoxy)thieno[2,3-d]pyrimidine (PubChem CID 51112668) has the molecular formula C17H11N3O2S and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-(4-pyridin-2-yloxyphenoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-pyridin-2-yloxyphenoxy)thieno[2,3-d]pyrimidine
PubChem CID51112668
Molecular FormulaC17H11N3O2S
Molecular Weight321.36 g/mol
Exact Mass321.06
IUPAC Name4-(4-pyridin-2-yloxyphenoxy)thieno[2,3-d]pyrimidine
SMILESc1ccc(Oc2ccc(Oc3ncnc4sccc34)cc2)nc1
InChIInChI=1S/C17H11N3O2S/c1-2-9-18-15(3-1)21-12-4-6-13(7-5-12)22-16-14-8-10-23-17(14)20-11-19-16/h1-11H
InChIKeyBDAFDPNLFUBHII-UHFFFAOYSA-N
XLogP4.67
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-2-yloxyphenoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-pyridin-2-yloxyphenoxy)thieno[2,3-d]pyrimidine (CID 51112668) is 4-(4-pyridin-2-yloxyphenoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-pyridin-2-yloxyphenoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-pyridin-2-yloxyphenoxy)thieno[2,3-d]pyrimidine is c1ccc(Oc2ccc(Oc3ncnc4sccc34)cc2)nc1.
What is the InChIKey of 4-(4-pyridin-2-yloxyphenoxy)thieno[2,3-d]pyrimidine?
The InChIKey is BDAFDPNLFUBHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2S/c1-2-9-18-15(3-1)21-12-4-6-13(7-5-12)22-16-14-8-10-23-17(14)20-11-19-16/h1-11H.
What are the key properties of 4-(4-pyridin-2-yloxyphenoxy)thieno[2,3-d]pyrimidine?
4-(4-pyridin-2-yloxyphenoxy)thieno[2,3-d]pyrimidine has a molecular weight of 321.36 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-2-yloxyphenoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 51112668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).