4-methyl-6-(4-pyrazin-2-yloxypiperidin-1-yl)-2-(trifluoromethyl)pyrimidine

C15H16F3N5O — CID 154844967

IUPAC4-methyl-6-(4-pyrazin-2-yloxypiperidin-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(N2CCC(Oc3cnccn3)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N5O/c1-10-8-12(22-14(21-10)15(16,17)18)23-6-2-11(3-7-23)24-13-9-19-4-5-20-13/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyLZQREOMXJFNXLS-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.64
Rot. Bonds3

About 4-methyl-6-(4-pyrazin-2-yloxypiperidin-1-yl)-2-(trifluoromethyl)pyrimidine

4-methyl-6-(4-pyrazin-2-yloxypiperidin-1-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 154844967) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is 4-methyl-6-(4-pyrazin-2-yloxypiperidin-1-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(4-pyrazin-2-yloxypiperidin-1-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID154844967
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name4-methyl-6-(4-pyrazin-2-yloxypiperidin-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCc1cc(N2CCC(Oc3cnccn3)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N5O/c1-10-8-12(22-14(21-10)15(16,17)18)23-6-2-11(3-7-23)24-13-9-19-4-5-20-13/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyLZQREOMXJFNXLS-UHFFFAOYSA-N
XLogP2.64
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-pyrazin-2-yloxypiperidin-1-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-6-(4-pyrazin-2-yloxypiperidin-1-yl)-2-(trifluoromethyl)pyrimidine (CID 154844967) is 4-methyl-6-(4-pyrazin-2-yloxypiperidin-1-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-6-(4-pyrazin-2-yloxypiperidin-1-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-6-(4-pyrazin-2-yloxypiperidin-1-yl)-2-(trifluoromethyl)pyrimidine is Cc1cc(N2CCC(Oc3cnccn3)CC2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-methyl-6-(4-pyrazin-2-yloxypiperidin-1-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is LZQREOMXJFNXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c1-10-8-12(22-14(21-10)15(16,17)18)23-6-2-11(3-7-23)24-13-9-19-4-5-20-13/h4-5,8-9,11H,2-3,6-7H2,1H3.
What are the key properties of 4-methyl-6-(4-pyrazin-2-yloxypiperidin-1-yl)-2-(trifluoromethyl)pyrimidine?
4-methyl-6-(4-pyrazin-2-yloxypiperidin-1-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 339.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-pyrazin-2-yloxypiperidin-1-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 154844967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).