2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol

C20H26FN3O2 — CID 70965898

IUPAC2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol
SMILESCOCc1nc(CC2CCN(c3ccc(F)cc3C)CC2)nc(C)c1O
InChIInChI=1S/C20H26FN3O2/c1-13-10-16(21)4-5-18(13)24-8-6-15(7-9-24)11-19-22-14(2)20(25)17(23-19)12-26-3/h4-5,10,15,25H,6-9,11-12H2,1-3H3
InChIKeyMRECCKCFBDXOPT-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.54
Rot. Bonds5

About 2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol

2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol (PubChem CID 70965898) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol.

Molecular Properties

Compound Name2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol
PubChem CID70965898
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol
SMILESCOCc1nc(CC2CCN(c3ccc(F)cc3C)CC2)nc(C)c1O
InChIInChI=1S/C20H26FN3O2/c1-13-10-16(21)4-5-18(13)24-8-6-15(7-9-24)11-19-22-14(2)20(25)17(23-19)12-26-3/h4-5,10,15,25H,6-9,11-12H2,1-3H3
InChIKeyMRECCKCFBDXOPT-UHFFFAOYSA-N
XLogP3.54
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol?
The IUPAC name of 2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol (CID 70965898) is 2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol.
What is the SMILES notation for 2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol?
The canonical SMILES for 2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol is COCc1nc(CC2CCN(c3ccc(F)cc3C)CC2)nc(C)c1O.
What is the InChIKey of 2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol?
The InChIKey is MRECCKCFBDXOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-13-10-16(21)4-5-18(13)24-8-6-15(7-9-24)11-19-22-14(2)20(25)17(23-19)12-26-3/h4-5,10,15,25H,6-9,11-12H2,1-3H3.
What are the key properties of 2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol?
2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol has a molecular weight of 359.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol is sourced from PubChem (CID 70965898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).