4-ethyl-5-fluoro-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine

C16H20FN5O — CID 154583171

IUPAC4-ethyl-5-fluoro-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CCC(COc3cnccn3)CC2)c1F
InChIInChI=1S/C16H20FN5O/c1-2-13-15(17)16(21-11-20-13)22-7-3-12(4-8-22)10-23-14-9-18-5-6-19-14/h5-6,9,11-12H,2-4,7-8,10H2,1H3
InChIKeyAPDVRWLXMYZOIC-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.26
Rot. Bonds5

About 4-ethyl-5-fluoro-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine

4-ethyl-5-fluoro-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (PubChem CID 154583171) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
PubChem CID154583171
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name4-ethyl-5-fluoro-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CCC(COc3cnccn3)CC2)c1F
InChIInChI=1S/C16H20FN5O/c1-2-13-15(17)16(21-11-20-13)22-7-3-12(4-8-22)10-23-14-9-18-5-6-19-14/h5-6,9,11-12H,2-4,7-8,10H2,1H3
InChIKeyAPDVRWLXMYZOIC-UHFFFAOYSA-N
XLogP2.26
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (CID 154583171) is 4-ethyl-5-fluoro-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is CCc1ncnc(N2CCC(COc3cnccn3)CC2)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The InChIKey is APDVRWLXMYZOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-2-13-15(17)16(21-11-20-13)22-7-3-12(4-8-22)10-23-14-9-18-5-6-19-14/h5-6,9,11-12H,2-4,7-8,10H2,1H3.
What are the key properties of 4-ethyl-5-fluoro-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
4-ethyl-5-fluoro-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine has a molecular weight of 317.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 154583171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).