5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine

C16H21N5O — CID 163354137

IUPAC5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESCCc1cnc(N2CCCC(COc3cnccn3)C2)nc1
InChIInChI=1S/C16H21N5O/c1-2-13-8-19-16(20-9-13)21-7-3-4-14(11-21)12-22-15-10-17-5-6-18-15/h5-6,8-10,14H,2-4,7,11-12H2,1H3
InChIKeyUAXHOWYARFBCKX-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.12
Rot. Bonds5

About 5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine

5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (PubChem CID 163354137) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
PubChem CID163354137
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESCCc1cnc(N2CCCC(COc3cnccn3)C2)nc1
InChIInChI=1S/C16H21N5O/c1-2-13-8-19-16(20-9-13)21-7-3-4-14(11-21)12-22-15-10-17-5-6-18-15/h5-6,8-10,14H,2-4,7,11-12H2,1H3
InChIKeyUAXHOWYARFBCKX-UHFFFAOYSA-N
XLogP2.12
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (CID 163354137) is 5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is CCc1cnc(N2CCCC(COc3cnccn3)C2)nc1.
What is the InChIKey of 5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The InChIKey is UAXHOWYARFBCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-2-13-8-19-16(20-9-13)21-7-3-4-14(11-21)12-22-15-10-17-5-6-18-15/h5-6,8-10,14H,2-4,7,11-12H2,1H3.
What are the key properties of 5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine has a molecular weight of 299.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 163354137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).