4-chloro-2-(4-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine

C11H10Cl2N2S — CID 79428080

IUPAC4-chloro-2-(4-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine
SMILESCCc1c(C)nc(-c2cc(Cl)cs2)nc1Cl
InChIInChI=1S/C11H10Cl2N2S/c1-3-8-6(2)14-11(15-10(8)13)9-4-7(12)5-16-9/h4-5H,3H2,1-2H3
InChIKeyXGFWQKKLBNFIBF-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.38
Rot. Bonds2

About 4-chloro-2-(4-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine

4-chloro-2-(4-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine (PubChem CID 79428080) has the molecular formula C11H10Cl2N2S and a molecular weight of 273.19 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine
PubChem CID79428080
Molecular FormulaC11H10Cl2N2S
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name4-chloro-2-(4-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine
SMILESCCc1c(C)nc(-c2cc(Cl)cs2)nc1Cl
InChIInChI=1S/C11H10Cl2N2S/c1-3-8-6(2)14-11(15-10(8)13)9-4-7(12)5-16-9/h4-5H,3H2,1-2H3
InChIKeyXGFWQKKLBNFIBF-UHFFFAOYSA-N
XLogP4.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(4-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine (CID 79428080) is 4-chloro-2-(4-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(4-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(4-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine is CCc1c(C)nc(-c2cc(Cl)cs2)nc1Cl.
What is the InChIKey of 4-chloro-2-(4-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine?
The InChIKey is XGFWQKKLBNFIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2S/c1-3-8-6(2)14-11(15-10(8)13)9-4-7(12)5-16-9/h4-5H,3H2,1-2H3.
What are the key properties of 4-chloro-2-(4-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine?
4-chloro-2-(4-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine has a molecular weight of 273.19 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine is sourced from PubChem (CID 79428080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).