N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

C25H25F3N4O4 — CID 86295874

IUPACN-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(OCCO)n1
InChIInChI=1S/C25H25F3N4O4/c1-16-5-6-19(29-23(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22(32-7-10-35-11-8-32)31-24(30-21)36-12-9-33/h2-6,13-15,33H,7-12H2,1H3,(H,29,34)
InChIKeyVIMSPEXOOOZTHP-UHFFFAOYSA-N
MW502.49 g/mol
LogP3.93
Rot. Bonds7

About N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 86295874) has the molecular formula C25H25F3N4O4 and a molecular weight of 502.49 g/mol. Its IUPAC name is N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
PubChem CID86295874
Molecular FormulaC25H25F3N4O4
Molecular Weight502.49 g/mol
Exact Mass502.18
IUPAC NameN-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(OCCO)n1
InChIInChI=1S/C25H25F3N4O4/c1-16-5-6-19(29-23(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22(32-7-10-35-11-8-32)31-24(30-21)36-12-9-33/h2-6,13-15,33H,7-12H2,1H3,(H,29,34)
InChIKeyVIMSPEXOOOZTHP-UHFFFAOYSA-N
XLogP3.93
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-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-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (CID 86295874) is N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(OCCO)n1.
What is the InChIKey of N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is VIMSPEXOOOZTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O4/c1-16-5-6-19(29-23(34)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22(32-7-10-35-11-8-32)31-24(30-21)36-12-9-33/h2-6,13-15,33H,7-12H2,1H3,(H,29,34).
What are the key properties of N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 502.49 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 86295874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).