2-(4-chlorophenoxy)-5-thiophen-2-ylpyrimidine

C14H9ClN2OS — CID 5065856

IUPAC2-(4-chlorophenoxy)-5-thiophen-2-ylpyrimidine
SMILESClc1ccc(Oc2ncc(-c3cccs3)cn2)cc1
InChIInChI=1S/C14H9ClN2OS/c15-11-3-5-12(6-4-11)18-14-16-8-10(9-17-14)13-2-1-7-19-13/h1-9H
InChIKeyBNBRXZQWHHKQMR-UHFFFAOYSA-N
MW288.76 g/mol
LogP4.65
Rot. Bonds3

About 2-(4-chlorophenoxy)-5-thiophen-2-ylpyrimidine

2-(4-chlorophenoxy)-5-thiophen-2-ylpyrimidine (PubChem CID 5065856) has the molecular formula C14H9ClN2OS and a molecular weight of 288.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-5-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-5-thiophen-2-ylpyrimidine
PubChem CID5065856
Molecular FormulaC14H9ClN2OS
Molecular Weight288.76 g/mol
Exact Mass288.01
IUPAC Name2-(4-chlorophenoxy)-5-thiophen-2-ylpyrimidine
SMILESClc1ccc(Oc2ncc(-c3cccs3)cn2)cc1
InChIInChI=1S/C14H9ClN2OS/c15-11-3-5-12(6-4-11)18-14-16-8-10(9-17-14)13-2-1-7-19-13/h1-9H
InChIKeyBNBRXZQWHHKQMR-UHFFFAOYSA-N
XLogP4.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-thiophen-2-ylpyrimidine
CID 66520182
8-(5-thiophen-2-ylpyrimidin-2-yl)oxyquinoline
CID 4170100
2-methyl-5-thiophen-2-ylpyrimidine
CID 54054310
4-(4-thiophen-2-ylphenoxy)aniline
CID 16768553
2-chloro-3-methyl-5-thiophen-2-ylpyridine
CID 83814921
2-[2-(5-thiophen-2-ylpyrimidin-2-yl)oxyphenyl]-1,3-benzothiazole
CID 3537748
5-chloro-2-(3-chlorophenoxy)pyrimidine
CID 13336560
5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine
CID 168863078
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
3-(4-chlorophenyl)-2-thiophen-2-ylthiophene
CID 172853479
2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 53222494
4-[6-(4-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
CID 137175137

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-5-thiophen-2-ylpyrimidine?
The IUPAC name of 2-(4-chlorophenoxy)-5-thiophen-2-ylpyrimidine (CID 5065856) is 2-(4-chlorophenoxy)-5-thiophen-2-ylpyrimidine.
What is the SMILES notation for 2-(4-chlorophenoxy)-5-thiophen-2-ylpyrimidine?
The canonical SMILES for 2-(4-chlorophenoxy)-5-thiophen-2-ylpyrimidine is Clc1ccc(Oc2ncc(-c3cccs3)cn2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-5-thiophen-2-ylpyrimidine?
The InChIKey is BNBRXZQWHHKQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2OS/c15-11-3-5-12(6-4-11)18-14-16-8-10(9-17-14)13-2-1-7-19-13/h1-9H.
What are the key properties of 2-(4-chlorophenoxy)-5-thiophen-2-ylpyrimidine?
2-(4-chlorophenoxy)-5-thiophen-2-ylpyrimidine has a molecular weight of 288.76 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-5-thiophen-2-ylpyrimidine is sourced from PubChem (CID 5065856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).