2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine

C16H18F3N5O — CID 154583162

IUPAC2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(N2CCC(COc3cnccn3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N5O/c1-11-22-13(16(17,18)19)8-14(23-11)24-6-2-12(3-7-24)10-25-15-9-20-4-5-21-15/h4-5,8-9,12H,2-3,6-7,10H2,1H3
InChIKeyJKATVGPEGNBXOZ-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.89
Rot. Bonds4

About 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine

2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine (PubChem CID 154583162) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
PubChem CID154583162
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC Name2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(N2CCC(COc3cnccn3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N5O/c1-11-22-13(16(17,18)19)8-14(23-11)24-6-2-12(3-7-24)10-25-15-9-20-4-5-21-15/h4-5,8-9,12H,2-3,6-7,10H2,1H3
InChIKeyJKATVGPEGNBXOZ-UHFFFAOYSA-N
XLogP2.89
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)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 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine (CID 154583162) is 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine is Cc1nc(N2CCC(COc3cnccn3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is JKATVGPEGNBXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-11-22-13(16(17,18)19)8-14(23-11)24-6-2-12(3-7-24)10-25-15-9-20-4-5-21-15/h4-5,8-9,12H,2-3,6-7,10H2,1H3.
What are the key properties of 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine?
2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 353.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 154583162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).