2-[2-(ethoxymethyl)-2-fluorocyclohexyl]oxy-4,6-dimethoxypyrimidine

C15H23FN2O4 — CID 139621517

IUPAC2-[2-(ethoxymethyl)-2-fluorocyclohexyl]oxy-4,6-dimethoxypyrimidine
SMILESCCOCC1(F)CCCCC1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C15H23FN2O4/c1-4-21-10-15(16)8-6-5-7-11(15)22-14-17-12(19-2)9-13(18-14)20-3/h9,11H,4-8,10H2,1-3H3
InChIKeyIVSBNARPDUOZMZ-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.56
Rot. Bonds7

About 2-[2-(ethoxymethyl)-2-fluorocyclohexyl]oxy-4,6-dimethoxypyrimidine

2-[2-(ethoxymethyl)-2-fluorocyclohexyl]oxy-4,6-dimethoxypyrimidine (PubChem CID 139621517) has the molecular formula C15H23FN2O4 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-[2-(ethoxymethyl)-2-fluorocyclohexyl]oxy-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name2-[2-(ethoxymethyl)-2-fluorocyclohexyl]oxy-4,6-dimethoxypyrimidine
PubChem CID139621517
Molecular FormulaC15H23FN2O4
Molecular Weight314.36 g/mol
Exact Mass314.16
IUPAC Name2-[2-(ethoxymethyl)-2-fluorocyclohexyl]oxy-4,6-dimethoxypyrimidine
SMILESCCOCC1(F)CCCCC1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C15H23FN2O4/c1-4-21-10-15(16)8-6-5-7-11(15)22-14-17-12(19-2)9-13(18-14)20-3/h9,11H,4-8,10H2,1-3H3
InChIKeyIVSBNARPDUOZMZ-UHFFFAOYSA-N
XLogP2.56
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethoxymethyl)-2-fluorocyclohexyl]oxy-4,6-dimethoxypyrimidine?
The IUPAC name of 2-[2-(ethoxymethyl)-2-fluorocyclohexyl]oxy-4,6-dimethoxypyrimidine (CID 139621517) is 2-[2-(ethoxymethyl)-2-fluorocyclohexyl]oxy-4,6-dimethoxypyrimidine.
What is the SMILES notation for 2-[2-(ethoxymethyl)-2-fluorocyclohexyl]oxy-4,6-dimethoxypyrimidine?
The canonical SMILES for 2-[2-(ethoxymethyl)-2-fluorocyclohexyl]oxy-4,6-dimethoxypyrimidine is CCOCC1(F)CCCCC1Oc1nc(OC)cc(OC)n1.
What is the InChIKey of 2-[2-(ethoxymethyl)-2-fluorocyclohexyl]oxy-4,6-dimethoxypyrimidine?
The InChIKey is IVSBNARPDUOZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O4/c1-4-21-10-15(16)8-6-5-7-11(15)22-14-17-12(19-2)9-13(18-14)20-3/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 2-[2-(ethoxymethyl)-2-fluorocyclohexyl]oxy-4,6-dimethoxypyrimidine?
2-[2-(ethoxymethyl)-2-fluorocyclohexyl]oxy-4,6-dimethoxypyrimidine has a molecular weight of 314.36 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethoxymethyl)-2-fluorocyclohexyl]oxy-4,6-dimethoxypyrimidine is sourced from PubChem (CID 139621517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).