2-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine

C13H15N5O — CID 95811454

IUPAC2-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine
SMILESc1cnc(N2CCC(Oc3cnccn3)CC2)nc1
InChIInChI=1S/C13H15N5O/c1-4-16-13(17-5-1)18-8-2-11(3-9-18)19-12-10-14-6-7-15-12/h1,4-7,10-11H,2-3,8-9H2
InChIKeyILICIKWNWLVDKF-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.31
Rot. Bonds3

About 2-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine

2-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine (PubChem CID 95811454) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine
PubChem CID95811454
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine
SMILESc1cnc(N2CCC(Oc3cnccn3)CC2)nc1
InChIInChI=1S/C13H15N5O/c1-4-16-13(17-5-1)18-8-2-11(3-9-18)19-12-10-14-6-7-15-12/h1,4-7,10-11H,2-3,8-9H2
InChIKeyILICIKWNWLVDKF-UHFFFAOYSA-N
XLogP1.31
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine?
The IUPAC name of 2-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine (CID 95811454) is 2-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine is c1cnc(N2CCC(Oc3cnccn3)CC2)nc1.
What is the InChIKey of 2-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine?
The InChIKey is ILICIKWNWLVDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-4-16-13(17-5-1)18-8-2-11(3-9-18)19-12-10-14-6-7-15-12/h1,4-7,10-11H,2-3,8-9H2.
What are the key properties of 2-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine?
2-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine has a molecular weight of 257.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine is sourced from PubChem (CID 95811454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).