N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C15H23F3N4O — CID 72856404

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCCN1CCC(CN(C)c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H23F3N4O/c1-21(13-3-6-19-14(20-13)15(16,17)18)11-12-4-7-22(8-5-12)9-10-23-2/h3,6,12H,4-5,7-11H2,1-2H3
InChIKeyHXARWZCWIAUGTA-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.29
Rot. Bonds6

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 72856404) has the molecular formula C15H23F3N4O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID72856404
Molecular FormulaC15H23F3N4O
Molecular Weight332.37 g/mol
Exact Mass332.18
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCCN1CCC(CN(C)c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H23F3N4O/c1-21(13-3-6-19-14(20-13)15(16,17)18)11-12-4-7-22(8-5-12)9-10-23-2/h3,6,12H,4-5,7-11H2,1-2H3
InChIKeyHXARWZCWIAUGTA-UHFFFAOYSA-N
XLogP2.29
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine 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 N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 72856404) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is COCCN1CCC(CN(C)c2ccnc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is HXARWZCWIAUGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O/c1-21(13-3-6-19-14(20-13)15(16,17)18)11-12-4-7-22(8-5-12)9-10-23-2/h3,6,12H,4-5,7-11H2,1-2H3.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 332.37 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 72856404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).