4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine

C10H8Cl2N2S — CID 80936573

IUPAC4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C10H8Cl2N2S/c1-2-10-13-6(5-8(11)14-10)7-3-4-9(12)15-7/h3-5H,2H2,1H3
InChIKeyGAAXWPFURMZVLK-UHFFFAOYSA-N
MW259.16 g/mol
LogP4.07
Rot. Bonds2

About 4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine

4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine (PubChem CID 80936573) has the molecular formula C10H8Cl2N2S and a molecular weight of 259.16 g/mol. Its IUPAC name is 4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine
PubChem CID80936573
Molecular FormulaC10H8Cl2N2S
Molecular Weight259.16 g/mol
Exact Mass257.98
IUPAC Name4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C10H8Cl2N2S/c1-2-10-13-6(5-8(11)14-10)7-3-4-9(12)15-7/h3-5H,2H2,1H3
InChIKeyGAAXWPFURMZVLK-UHFFFAOYSA-N
XLogP4.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine?
The IUPAC name of 4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine (CID 80936573) is 4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine?
The canonical SMILES for 4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine is CCc1nc(Cl)cc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine?
The InChIKey is GAAXWPFURMZVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2S/c1-2-10-13-6(5-8(11)14-10)7-3-4-9(12)15-7/h3-5H,2H2,1H3.
What are the key properties of 4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine?
4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine has a molecular weight of 259.16 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine is sourced from PubChem (CID 80936573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).