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

C14H16ClN5O — CID 163352673

IUPAC5-chloro-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESClc1cnc(N2CCCC(COc3cnccn3)C2)nc1
InChIInChI=1S/C14H16ClN5O/c15-12-6-18-14(19-7-12)20-5-1-2-11(9-20)10-21-13-8-16-3-4-17-13/h3-4,6-8,11H,1-2,5,9-10H2
InChIKeyRJWPZHIJROGPBR-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.22
Rot. Bonds4

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

5-chloro-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (PubChem CID 163352673) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 5-chloro-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
PubChem CID163352673
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name5-chloro-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESClc1cnc(N2CCCC(COc3cnccn3)C2)nc1
InChIInChI=1S/C14H16ClN5O/c15-12-6-18-14(19-7-12)20-5-1-2-11(9-20)10-21-13-8-16-3-4-17-13/h3-4,6-8,11H,1-2,5,9-10H2
InChIKeyRJWPZHIJROGPBR-UHFFFAOYSA-N
XLogP2.22
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (CID 163352673) is 5-chloro-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is Clc1cnc(N2CCCC(COc3cnccn3)C2)nc1.
What is the InChIKey of 5-chloro-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The InChIKey is RJWPZHIJROGPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c15-12-6-18-14(19-7-12)20-5-1-2-11(9-20)10-21-13-8-16-3-4-17-13/h3-4,6-8,11H,1-2,5,9-10H2.
What are the key properties of 5-chloro-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
5-chloro-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine has a molecular weight of 305.77 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 163352673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).