4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine

C13H12Cl2N2O — CID 80935506

IUPAC4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(-c2ccc(Cl)c(OC)c2)n1
InChIInChI=1S/C13H12Cl2N2O/c1-3-13-16-10(7-12(15)17-13)8-4-5-9(14)11(6-8)18-2/h4-7H,3H2,1-2H3
InChIKeyRFCJCPYHDQZFLA-UHFFFAOYSA-N
MW283.16 g/mol
LogP4.02
Rot. Bonds3

About 4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine

4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine (PubChem CID 80935506) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine
PubChem CID80935506
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(-c2ccc(Cl)c(OC)c2)n1
InChIInChI=1S/C13H12Cl2N2O/c1-3-13-16-10(7-12(15)17-13)8-4-5-9(14)11(6-8)18-2/h4-7H,3H2,1-2H3
InChIKeyRFCJCPYHDQZFLA-UHFFFAOYSA-N
XLogP4.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine?
The IUPAC name of 4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine (CID 80935506) is 4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine is CCc1nc(Cl)cc(-c2ccc(Cl)c(OC)c2)n1.
What is the InChIKey of 4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine?
The InChIKey is RFCJCPYHDQZFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-3-13-16-10(7-12(15)17-13)8-4-5-9(14)11(6-8)18-2/h4-7H,3H2,1-2H3.
What are the key properties of 4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine?
4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine has a molecular weight of 283.16 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine is sourced from PubChem (CID 80935506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).