2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohex-3-en-1-yl]ethanol

C14H19FN2O3 — CID 169178320

IUPAC2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohex-3-en-1-yl]ethanol
SMILESCOCOc1nc(C2=CCC(CCO)CC2)ncc1F
InChIInChI=1S/C14H19FN2O3/c1-19-9-20-14-12(15)8-16-13(17-14)11-4-2-10(3-5-11)6-7-18/h4,8,10,18H,2-3,5-7,9H2,1H3
InChIKeyHBVNEWXMMNTGNL-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.16
Rot. Bonds6

About 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohex-3-en-1-yl]ethanol

2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohex-3-en-1-yl]ethanol (PubChem CID 169178320) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohex-3-en-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohex-3-en-1-yl]ethanol
PubChem CID169178320
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohex-3-en-1-yl]ethanol
SMILESCOCOc1nc(C2=CCC(CCO)CC2)ncc1F
InChIInChI=1S/C14H19FN2O3/c1-19-9-20-14-12(15)8-16-13(17-14)11-4-2-10(3-5-11)6-7-18/h4,8,10,18H,2-3,5-7,9H2,1H3
InChIKeyHBVNEWXMMNTGNL-UHFFFAOYSA-N
XLogP2.16
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohex-3-en-1-yl]ethanol?
The IUPAC name of 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohex-3-en-1-yl]ethanol (CID 169178320) is 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohex-3-en-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohex-3-en-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohex-3-en-1-yl]ethanol is COCOc1nc(C2=CCC(CCO)CC2)ncc1F.
What is the InChIKey of 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohex-3-en-1-yl]ethanol?
The InChIKey is HBVNEWXMMNTGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-19-9-20-14-12(15)8-16-13(17-14)11-4-2-10(3-5-11)6-7-18/h4,8,10,18H,2-3,5-7,9H2,1H3.
What are the key properties of 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohex-3-en-1-yl]ethanol?
2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohex-3-en-1-yl]ethanol has a molecular weight of 282.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-fluoro-4-(methoxymethoxy)pyrimidin-2-yl]cyclohex-3-en-1-yl]ethanol is sourced from PubChem (CID 169178320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).