4,6-dichloro-5-thiophen-3-ylpyrimidine

C8H4Cl2N2S — CID 138643167

IUPAC4,6-dichloro-5-thiophen-3-ylpyrimidine
SMILESClc1ncnc(Cl)c1-c1ccsc1
InChIInChI=1S/C8H4Cl2N2S/c9-7-6(5-1-2-13-3-5)8(10)12-4-11-7/h1-4H
InChIKeyDOURLHVABMOZGM-UHFFFAOYSA-N
MW231.11 g/mol
LogP3.51
Rot. Bonds1

About 4,6-dichloro-5-thiophen-3-ylpyrimidine

4,6-dichloro-5-thiophen-3-ylpyrimidine (PubChem CID 138643167) has the molecular formula C8H4Cl2N2S and a molecular weight of 231.11 g/mol. Its IUPAC name is 4,6-dichloro-5-thiophen-3-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-thiophen-3-ylpyrimidine
PubChem CID138643167
Molecular FormulaC8H4Cl2N2S
Molecular Weight231.11 g/mol
Exact Mass229.95
IUPAC Name4,6-dichloro-5-thiophen-3-ylpyrimidine
SMILESClc1ncnc(Cl)c1-c1ccsc1
InChIInChI=1S/C8H4Cl2N2S/c9-7-6(5-1-2-13-3-5)8(10)12-4-11-7/h1-4H
InChIKeyDOURLHVABMOZGM-UHFFFAOYSA-N
XLogP3.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-thiophen-3-ylpyrimidine?
The IUPAC name of 4,6-dichloro-5-thiophen-3-ylpyrimidine (CID 138643167) is 4,6-dichloro-5-thiophen-3-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-thiophen-3-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-thiophen-3-ylpyrimidine is Clc1ncnc(Cl)c1-c1ccsc1.
What is the InChIKey of 4,6-dichloro-5-thiophen-3-ylpyrimidine?
The InChIKey is DOURLHVABMOZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2S/c9-7-6(5-1-2-13-3-5)8(10)12-4-11-7/h1-4H.
What are the key properties of 4,6-dichloro-5-thiophen-3-ylpyrimidine?
4,6-dichloro-5-thiophen-3-ylpyrimidine has a molecular weight of 231.11 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-thiophen-3-ylpyrimidine is sourced from PubChem (CID 138643167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).