4,6-dichloro-2-(1-ethoxyethyl)-5-ethylpyrimidine

C10H14Cl2N2O — CID 64539437

IUPAC4,6-dichloro-2-(1-ethoxyethyl)-5-ethylpyrimidine
SMILESCCOC(C)c1nc(Cl)c(CC)c(Cl)n1
InChIInChI=1S/C10H14Cl2N2O/c1-4-7-8(11)13-10(14-9(7)12)6(3)15-5-2/h6H,4-5H2,1-3H3
InChIKeyQZELMWYRGIRNOC-UHFFFAOYSA-N
MW249.14 g/mol
LogP3.44
Rot. Bonds4

About 4,6-dichloro-2-(1-ethoxyethyl)-5-ethylpyrimidine

4,6-dichloro-2-(1-ethoxyethyl)-5-ethylpyrimidine (PubChem CID 64539437) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is 4,6-dichloro-2-(1-ethoxyethyl)-5-ethylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(1-ethoxyethyl)-5-ethylpyrimidine
PubChem CID64539437
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name4,6-dichloro-2-(1-ethoxyethyl)-5-ethylpyrimidine
SMILESCCOC(C)c1nc(Cl)c(CC)c(Cl)n1
InChIInChI=1S/C10H14Cl2N2O/c1-4-7-8(11)13-10(14-9(7)12)6(3)15-5-2/h6H,4-5H2,1-3H3
InChIKeyQZELMWYRGIRNOC-UHFFFAOYSA-N
XLogP3.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(1-ethoxyethyl)-5-ethylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(1-ethoxyethyl)-5-ethylpyrimidine (CID 64539437) is 4,6-dichloro-2-(1-ethoxyethyl)-5-ethylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(1-ethoxyethyl)-5-ethylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(1-ethoxyethyl)-5-ethylpyrimidine is CCOC(C)c1nc(Cl)c(CC)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(1-ethoxyethyl)-5-ethylpyrimidine?
The InChIKey is QZELMWYRGIRNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O/c1-4-7-8(11)13-10(14-9(7)12)6(3)15-5-2/h6H,4-5H2,1-3H3.
What are the key properties of 4,6-dichloro-2-(1-ethoxyethyl)-5-ethylpyrimidine?
4,6-dichloro-2-(1-ethoxyethyl)-5-ethylpyrimidine has a molecular weight of 249.14 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(1-ethoxyethyl)-5-ethylpyrimidine is sourced from PubChem (CID 64539437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).