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

C14H16FN5O — CID 154575549

IUPAC5-fluoro-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESFc1cnc(N2CCC(COc3cnccn3)CC2)nc1
InChIInChI=1S/C14H16FN5O/c15-12-7-18-14(19-8-12)20-5-1-11(2-6-20)10-21-13-9-16-3-4-17-13/h3-4,7-9,11H,1-2,5-6,10H2
InChIKeyRXKOSXXEZPGWCZ-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.70
Rot. Bonds4

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

5-fluoro-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (PubChem CID 154575549) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-fluoro-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
PubChem CID154575549
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name5-fluoro-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESFc1cnc(N2CCC(COc3cnccn3)CC2)nc1
InChIInChI=1S/C14H16FN5O/c15-12-7-18-14(19-8-12)20-5-1-11(2-6-20)10-21-13-9-16-3-4-17-13/h3-4,7-9,11H,1-2,5-6,10H2
InChIKeyRXKOSXXEZPGWCZ-UHFFFAOYSA-N
XLogP1.70
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-2-[4-(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-fluoro-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (CID 154575549) is 5-fluoro-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is Fc1cnc(N2CCC(COc3cnccn3)CC2)nc1.
What is the InChIKey of 5-fluoro-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The InChIKey is RXKOSXXEZPGWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c15-12-7-18-14(19-8-12)20-5-1-11(2-6-20)10-21-13-9-16-3-4-17-13/h3-4,7-9,11H,1-2,5-6,10H2.
What are the key properties of 5-fluoro-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
5-fluoro-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine has a molecular weight of 289.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 154575549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).