[2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexyl]pyrimidin-4-yl]methanol

C17H27FN2O4 — CID 154608217

IUPAC[2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexyl]pyrimidin-4-yl]methanol
SMILESCOCCOCCOCC1(F)CCC(c2nccc(CO)n2)CC1
InChIInChI=1S/C17H27FN2O4/c1-22-8-9-23-10-11-24-13-17(18)5-2-14(3-6-17)16-19-7-4-15(12-21)20-16/h4,7,14,21H,2-3,5-6,8-13H2,1H3
InChIKeyIRXCPLKCVGOCTO-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.01
Rot. Bonds10

About [2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexyl]pyrimidin-4-yl]methanol

[2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexyl]pyrimidin-4-yl]methanol (PubChem CID 154608217) has the molecular formula C17H27FN2O4 and a molecular weight of 342.41 g/mol. Its IUPAC name is [2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexyl]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexyl]pyrimidin-4-yl]methanol
PubChem CID154608217
Molecular FormulaC17H27FN2O4
Molecular Weight342.41 g/mol
Exact Mass342.20
IUPAC Name[2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexyl]pyrimidin-4-yl]methanol
SMILESCOCCOCCOCC1(F)CCC(c2nccc(CO)n2)CC1
InChIInChI=1S/C17H27FN2O4/c1-22-8-9-23-10-11-24-13-17(18)5-2-14(3-6-17)16-19-7-4-15(12-21)20-16/h4,7,14,21H,2-3,5-6,8-13H2,1H3
InChIKeyIRXCPLKCVGOCTO-UHFFFAOYSA-N
XLogP2.01
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexyl]pyrimidin-4-yl]methanol?
The IUPAC name of [2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexyl]pyrimidin-4-yl]methanol (CID 154608217) is [2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexyl]pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexyl]pyrimidin-4-yl]methanol?
The canonical SMILES for [2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexyl]pyrimidin-4-yl]methanol is COCCOCCOCC1(F)CCC(c2nccc(CO)n2)CC1.
What is the InChIKey of [2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexyl]pyrimidin-4-yl]methanol?
The InChIKey is IRXCPLKCVGOCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O4/c1-22-8-9-23-10-11-24-13-17(18)5-2-14(3-6-17)16-19-7-4-15(12-21)20-16/h4,7,14,21H,2-3,5-6,8-13H2,1H3.
What are the key properties of [2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexyl]pyrimidin-4-yl]methanol?
[2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexyl]pyrimidin-4-yl]methanol has a molecular weight of 342.41 g/mol, XLogP of 2.01, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexyl]pyrimidin-4-yl]methanol is sourced from PubChem (CID 154608217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).