5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine

C16H19FN4O2 — CID 134704475

IUPAC5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
SMILESCOc1nc(N2CCCC(OCc3ccccn3)C2)ncc1F
InChIInChI=1S/C16H19FN4O2/c1-22-15-14(17)9-19-16(20-15)21-8-4-6-13(10-21)23-11-12-5-2-3-7-18-12/h2-3,5,7,9,13H,4,6,8,10-11H2,1H3
InChIKeyUPLIVIMGYZDECD-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.20
Rot. Bonds5

About 5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine

5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine (PubChem CID 134704475) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
PubChem CID134704475
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
SMILESCOc1nc(N2CCCC(OCc3ccccn3)C2)ncc1F
InChIInChI=1S/C16H19FN4O2/c1-22-15-14(17)9-19-16(20-15)21-8-4-6-13(10-21)23-11-12-5-2-3-7-18-12/h2-3,5,7,9,13H,4,6,8,10-11H2,1H3
InChIKeyUPLIVIMGYZDECD-UHFFFAOYSA-N
XLogP2.20
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
CID 97456778
3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine
CID 72920740
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 56906695
5-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-1,3,4-thiadiazol-2-amine
CID 146039643
6-morpholin-4-yl-5-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 45247569
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 56914538
2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine
CID 56896073
[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 135098500
2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]oxymethyl]pyridine
CID 131944267
2-[(2-fluorophenyl)methyl-methylamino]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 91786226
[5-(methoxymethyl)furan-2-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 70711514
5-bromo-4-methoxy-2-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
CID 172901093

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine (CID 134704475) is 5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine is COc1nc(N2CCCC(OCc3ccccn3)C2)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine?
The InChIKey is UPLIVIMGYZDECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-22-15-14(17)9-19-16(20-15)21-8-4-6-13(10-21)23-11-12-5-2-3-7-18-12/h2-3,5,7,9,13H,4,6,8,10-11H2,1H3.
What are the key properties of 5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine?
5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine has a molecular weight of 318.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 134704475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).