2-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidine

C15H12N2OS — CID 11369196

IUPAC2-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidine
SMILESCOc1ccc(-c2nccc(-c3cccs3)n2)cc1
InChIInChI=1S/C15H12N2OS/c1-18-12-6-4-11(5-7-12)15-16-9-8-13(17-15)14-3-2-10-19-14/h2-10H,1H3
InChIKeyMMEQJQWBDJSAGK-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.88
Rot. Bonds3

About 2-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidine

2-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidine (PubChem CID 11369196) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidine
PubChem CID11369196
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name2-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidine
SMILESCOc1ccc(-c2nccc(-c3cccs3)n2)cc1
InChIInChI=1S/C15H12N2OS/c1-18-12-6-4-11(5-7-12)15-16-9-8-13(17-15)14-3-2-10-19-14/h2-10H,1H3
InChIKeyMMEQJQWBDJSAGK-UHFFFAOYSA-N
XLogP3.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidine?
The IUPAC name of 2-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidine (CID 11369196) is 2-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidine.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidine?
The canonical SMILES for 2-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidine is COc1ccc(-c2nccc(-c3cccs3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidine?
The InChIKey is MMEQJQWBDJSAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-18-12-6-4-11(5-7-12)15-16-9-8-13(17-15)14-3-2-10-19-14/h2-10H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidine?
2-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidine has a molecular weight of 268.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidine is sourced from PubChem (CID 11369196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).