N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-3-(trifluoromethyl)benzamide

C17H17F3N4O2 — CID 72718098

IUPACN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1nccc(N2CCOCC2)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)13-3-1-2-12(10-13)16(25)22-11-14-21-5-4-15(23-14)24-6-8-26-9-7-24/h1-5,10H,6-9,11H2,(H,22,25)
InChIKeyWDLZABHUNCHXAO-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.26
Rot. Bonds4

About N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-3-(trifluoromethyl)benzamide

N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 72718098) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID72718098
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1nccc(N2CCOCC2)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)13-3-1-2-12(10-13)16(25)22-11-14-21-5-4-15(23-14)24-6-8-26-9-7-24/h1-5,10H,6-9,11H2,(H,22,25)
InChIKeyWDLZABHUNCHXAO-UHFFFAOYSA-N
XLogP2.26
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-3-(trifluoromethyl)benzamide 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-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-3-(trifluoromethyl)benzamide (CID 72718098) is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-3-(trifluoromethyl)benzamide is O=C(NCc1nccc(N2CCOCC2)n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is WDLZABHUNCHXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c18-17(19,20)13-3-1-2-12(10-13)16(25)22-11-14-21-5-4-15(23-14)24-6-8-26-9-7-24/h1-5,10H,6-9,11H2,(H,22,25).
What are the key properties of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-3-(trifluoromethyl)benzamide?
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 366.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 72718098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).