4-chloro-5-ethyl-6-(2-ethylcyclohexyl)oxypyrimidine

C14H21ClN2O — CID 55230621

IUPAC4-chloro-5-ethyl-6-(2-ethylcyclohexyl)oxypyrimidine
SMILESCCc1c(Cl)ncnc1OC1CCCCC1CC
InChIInChI=1S/C14H21ClN2O/c1-3-10-7-5-6-8-12(10)18-14-11(4-2)13(15)16-9-17-14/h9-10,12H,3-8H2,1-2H3
InChIKeyLJINZTHGXMYLCE-UHFFFAOYSA-N
MW268.79 g/mol
LogP4.04
Rot. Bonds4

About 4-chloro-5-ethyl-6-(2-ethylcyclohexyl)oxypyrimidine

4-chloro-5-ethyl-6-(2-ethylcyclohexyl)oxypyrimidine (PubChem CID 55230621) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-(2-ethylcyclohexyl)oxypyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-(2-ethylcyclohexyl)oxypyrimidine
PubChem CID55230621
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-chloro-5-ethyl-6-(2-ethylcyclohexyl)oxypyrimidine
SMILESCCc1c(Cl)ncnc1OC1CCCCC1CC
InChIInChI=1S/C14H21ClN2O/c1-3-10-7-5-6-8-12(10)18-14-11(4-2)13(15)16-9-17-14/h9-10,12H,3-8H2,1-2H3
InChIKeyLJINZTHGXMYLCE-UHFFFAOYSA-N
XLogP4.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-(2-ethylcyclohexyl)oxypyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-(2-ethylcyclohexyl)oxypyrimidine (CID 55230621) is 4-chloro-5-ethyl-6-(2-ethylcyclohexyl)oxypyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-(2-ethylcyclohexyl)oxypyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-(2-ethylcyclohexyl)oxypyrimidine is CCc1c(Cl)ncnc1OC1CCCCC1CC.
What is the InChIKey of 4-chloro-5-ethyl-6-(2-ethylcyclohexyl)oxypyrimidine?
The InChIKey is LJINZTHGXMYLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-10-7-5-6-8-12(10)18-14-11(4-2)13(15)16-9-17-14/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-6-(2-ethylcyclohexyl)oxypyrimidine?
4-chloro-5-ethyl-6-(2-ethylcyclohexyl)oxypyrimidine has a molecular weight of 268.79 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-(2-ethylcyclohexyl)oxypyrimidine is sourced from PubChem (CID 55230621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).