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

C14H16BrN5O — CID 163352678

IUPAC5-bromo-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESBrc1cnc(N2CCCC(COc3cnccn3)C2)nc1
InChIInChI=1S/C14H16BrN5O/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
InChIKeyVTJBCHUEXXUOPD-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.32
Rot. Bonds4

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

5-bromo-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (PubChem CID 163352678) has the molecular formula C14H16BrN5O and a molecular weight of 350.22 g/mol. Its IUPAC name is 5-bromo-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
PubChem CID163352678
Molecular FormulaC14H16BrN5O
Molecular Weight350.22 g/mol
Exact Mass349.05
IUPAC Name5-bromo-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESBrc1cnc(N2CCCC(COc3cnccn3)C2)nc1
InChIInChI=1S/C14H16BrN5O/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
InChIKeyVTJBCHUEXXUOPD-UHFFFAOYSA-N
XLogP2.32
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-bromo-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (CID 163352678) is 5-bromo-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is Brc1cnc(N2CCCC(COc3cnccn3)C2)nc1.
What is the InChIKey of 5-bromo-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The InChIKey is VTJBCHUEXXUOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5O/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-bromo-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
5-bromo-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine has a molecular weight of 350.22 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 163352678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).