[2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexen-1-yl]pyrimidin-4-yl]methanol

C17H25FN2O4 — CID 150790067

IUPAC[2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexen-1-yl]pyrimidin-4-yl]methanol
SMILESCOCCOCCOCC1(F)CC=C(c2nccc(CO)n2)CC1
InChIInChI=1S/C17H25FN2O4/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/h2,4,7,21H,3,5-6,8-13H2,1H3
InChIKeyKDRBTPZGYDNCHE-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.92
Rot. Bonds10

About [2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexen-1-yl]pyrimidin-4-yl]methanol

[2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexen-1-yl]pyrimidin-4-yl]methanol (PubChem CID 150790067) has the molecular formula C17H25FN2O4 and a molecular weight of 340.40 g/mol. Its IUPAC name is [2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexen-1-yl]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexen-1-yl]pyrimidin-4-yl]methanol
PubChem CID150790067
Molecular FormulaC17H25FN2O4
Molecular Weight340.40 g/mol
Exact Mass340.18
IUPAC Name[2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexen-1-yl]pyrimidin-4-yl]methanol
SMILESCOCCOCCOCC1(F)CC=C(c2nccc(CO)n2)CC1
InChIInChI=1S/C17H25FN2O4/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/h2,4,7,21H,3,5-6,8-13H2,1H3
InChIKeyKDRBTPZGYDNCHE-UHFFFAOYSA-N
XLogP1.92
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.92
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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Related Compounds

tert-butyl-[[2-[(4S)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-dimethylsilane
CID 150467451
[4-fluoro-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexen-1-yl] trifluoromethanesulfonate
CID 150145771
2-[4-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154608288
[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]methanol
CID 104564147
[2-(2-methoxyphenyl)pyrimidin-4-yl]methanol
CID 62748662
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1,3-oxazol-4-yl]methanol
CID 113427161
[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]methanol
CID 104564081
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine
CID 104561376
4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine
CID 104568221
[2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol
CID 118157470
4-[2-(2-methoxyethoxy)ethoxy]pyrimidin-2-amine
CID 104568278
[2-(1-ethoxycyclopentyl)pyrimidin-4-yl]methanol
CID 116778981

Frequently Asked Questions

What is the IUPAC name of [2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexen-1-yl]pyrimidin-4-yl]methanol?
The IUPAC name of [2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexen-1-yl]pyrimidin-4-yl]methanol (CID 150790067) is [2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexen-1-yl]pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexen-1-yl]pyrimidin-4-yl]methanol?
The canonical SMILES for [2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexen-1-yl]pyrimidin-4-yl]methanol is COCCOCCOCC1(F)CC=C(c2nccc(CO)n2)CC1.
What is the InChIKey of [2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexen-1-yl]pyrimidin-4-yl]methanol?
The InChIKey is KDRBTPZGYDNCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O4/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/h2,4,7,21H,3,5-6,8-13H2,1H3.
What are the key properties of [2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexen-1-yl]pyrimidin-4-yl]methanol?
[2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexen-1-yl]pyrimidin-4-yl]methanol has a molecular weight of 340.40 g/mol, XLogP of 1.92, 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]cyclohexen-1-yl]pyrimidin-4-yl]methanol is sourced from PubChem (CID 150790067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).