5-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine

C15H19N5O2 — CID 154580780

IUPAC5-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESCOc1cnc(N2CCC(COc3cnccn3)CC2)nc1
InChIInChI=1S/C15H19N5O2/c1-21-13-8-18-15(19-9-13)20-6-2-12(3-7-20)11-22-14-10-16-4-5-17-14/h4-5,8-10,12H,2-3,6-7,11H2,1H3
InChIKeyJQLQEGLSWLTBEL-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.57
Rot. Bonds5

About 5-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine

5-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (PubChem CID 154580780) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
PubChem CID154580780
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name5-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESCOc1cnc(N2CCC(COc3cnccn3)CC2)nc1
InChIInChI=1S/C15H19N5O2/c1-21-13-8-18-15(19-9-13)20-6-2-12(3-7-20)11-22-14-10-16-4-5-17-14/h4-5,8-10,12H,2-3,6-7,11H2,1H3
InChIKeyJQLQEGLSWLTBEL-UHFFFAOYSA-N
XLogP1.57
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (CID 154580780) is 5-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is COc1cnc(N2CCC(COc3cnccn3)CC2)nc1.
What is the InChIKey of 5-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The InChIKey is JQLQEGLSWLTBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-21-13-8-18-15(19-9-13)20-6-2-12(3-7-20)11-22-14-10-16-4-5-17-14/h4-5,8-10,12H,2-3,6-7,11H2,1H3.
What are the key properties of 5-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
5-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine has a molecular weight of 301.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 154580780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).