4-phenoxy-6-thiophen-2-ylpyrimidine

C14H10N2OS — CID 70121746

IUPAC4-phenoxy-6-thiophen-2-ylpyrimidine
SMILESc1ccc(Oc2cc(-c3cccs3)ncn2)cc1
InChIInChI=1S/C14H10N2OS/c1-2-5-11(6-3-1)17-14-9-12(15-10-16-14)13-7-4-8-18-13/h1-10H
InChIKeyPQIJGSRMACYTMU-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.00
Rot. Bonds3

About 4-phenoxy-6-thiophen-2-ylpyrimidine

4-phenoxy-6-thiophen-2-ylpyrimidine (PubChem CID 70121746) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-phenoxy-6-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name4-phenoxy-6-thiophen-2-ylpyrimidine
PubChem CID70121746
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name4-phenoxy-6-thiophen-2-ylpyrimidine
SMILESc1ccc(Oc2cc(-c3cccs3)ncn2)cc1
InChIInChI=1S/C14H10N2OS/c1-2-5-11(6-3-1)17-14-9-12(15-10-16-14)13-7-4-8-18-13/h1-10H
InChIKeyPQIJGSRMACYTMU-UHFFFAOYSA-N
XLogP4.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-6-thiophen-2-ylpyrimidine?
The IUPAC name of 4-phenoxy-6-thiophen-2-ylpyrimidine (CID 70121746) is 4-phenoxy-6-thiophen-2-ylpyrimidine.
What is the SMILES notation for 4-phenoxy-6-thiophen-2-ylpyrimidine?
The canonical SMILES for 4-phenoxy-6-thiophen-2-ylpyrimidine is c1ccc(Oc2cc(-c3cccs3)ncn2)cc1.
What is the InChIKey of 4-phenoxy-6-thiophen-2-ylpyrimidine?
The InChIKey is PQIJGSRMACYTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c1-2-5-11(6-3-1)17-14-9-12(15-10-16-14)13-7-4-8-18-13/h1-10H.
What are the key properties of 4-phenoxy-6-thiophen-2-ylpyrimidine?
4-phenoxy-6-thiophen-2-ylpyrimidine has a molecular weight of 254.31 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-6-thiophen-2-ylpyrimidine is sourced from PubChem (CID 70121746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).