4-chloro-6-(3-ethylcyclohexyl)oxy-2-propan-2-ylpyrimidine

C15H23ClN2O — CID 80949334

IUPAC4-chloro-6-(3-ethylcyclohexyl)oxy-2-propan-2-ylpyrimidine
SMILESCCC1CCCC(Oc2cc(Cl)nc(C(C)C)n2)C1
InChIInChI=1S/C15H23ClN2O/c1-4-11-6-5-7-12(8-11)19-14-9-13(16)17-15(18-14)10(2)3/h9-12H,4-8H2,1-3H3
InChIKeyRDTKPJYSOGNTRE-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.60
Rot. Bonds4

About 4-chloro-6-(3-ethylcyclohexyl)oxy-2-propan-2-ylpyrimidine

4-chloro-6-(3-ethylcyclohexyl)oxy-2-propan-2-ylpyrimidine (PubChem CID 80949334) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-chloro-6-(3-ethylcyclohexyl)oxy-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-ethylcyclohexyl)oxy-2-propan-2-ylpyrimidine
PubChem CID80949334
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-chloro-6-(3-ethylcyclohexyl)oxy-2-propan-2-ylpyrimidine
SMILESCCC1CCCC(Oc2cc(Cl)nc(C(C)C)n2)C1
InChIInChI=1S/C15H23ClN2O/c1-4-11-6-5-7-12(8-11)19-14-9-13(16)17-15(18-14)10(2)3/h9-12H,4-8H2,1-3H3
InChIKeyRDTKPJYSOGNTRE-UHFFFAOYSA-N
XLogP4.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-ethylcyclohexyl)oxy-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(3-ethylcyclohexyl)oxy-2-propan-2-ylpyrimidine (CID 80949334) is 4-chloro-6-(3-ethylcyclohexyl)oxy-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-ethylcyclohexyl)oxy-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-ethylcyclohexyl)oxy-2-propan-2-ylpyrimidine is CCC1CCCC(Oc2cc(Cl)nc(C(C)C)n2)C1.
What is the InChIKey of 4-chloro-6-(3-ethylcyclohexyl)oxy-2-propan-2-ylpyrimidine?
The InChIKey is RDTKPJYSOGNTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-4-11-6-5-7-12(8-11)19-14-9-13(16)17-15(18-14)10(2)3/h9-12H,4-8H2,1-3H3.
What are the key properties of 4-chloro-6-(3-ethylcyclohexyl)oxy-2-propan-2-ylpyrimidine?
4-chloro-6-(3-ethylcyclohexyl)oxy-2-propan-2-ylpyrimidine has a molecular weight of 282.81 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-ethylcyclohexyl)oxy-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80949334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).