4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine

C14H14Cl2N2 — CID 63611306

IUPAC4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine
SMILESCCc1ccc(-c2nc(Cl)c(CC)c(Cl)n2)cc1
InChIInChI=1S/C14H14Cl2N2/c1-3-9-5-7-10(8-6-9)14-17-12(15)11(4-2)13(16)18-14/h5-8H,3-4H2,1-2H3
InChIKeyHDTHCAGHNZLRJH-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.58
Rot. Bonds3

About 4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine

4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine (PubChem CID 63611306) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine
PubChem CID63611306
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine
SMILESCCc1ccc(-c2nc(Cl)c(CC)c(Cl)n2)cc1
InChIInChI=1S/C14H14Cl2N2/c1-3-9-5-7-10(8-6-9)14-17-12(15)11(4-2)13(16)18-14/h5-8H,3-4H2,1-2H3
InChIKeyHDTHCAGHNZLRJH-UHFFFAOYSA-N
XLogP4.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine (CID 63611306) is 4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine is CCc1ccc(-c2nc(Cl)c(CC)c(Cl)n2)cc1.
What is the InChIKey of 4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine?
The InChIKey is HDTHCAGHNZLRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-3-9-5-7-10(8-6-9)14-17-12(15)11(4-2)13(16)18-14/h5-8H,3-4H2,1-2H3.
What are the key properties of 4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine?
4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine has a molecular weight of 281.19 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine is sourced from PubChem (CID 63611306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).