2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one

C20H25F3N4O3 — CID 90392023

IUPAC2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
SMILESCOc1ccc(CCN(C)c2nc(N3CCOCC3)cc(=O)n2CC(F)(F)F)cc1
InChIInChI=1S/C20H25F3N4O3/c1-25(8-7-15-3-5-16(29-2)6-4-15)19-24-17(26-9-11-30-12-10-26)13-18(28)27(19)14-20(21,22)23/h3-6,13H,7-12,14H2,1-2H3
InChIKeyLNHJEUCVMNONBC-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.33
Rot. Bonds7

About 2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one

2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one (PubChem CID 90392023) has the molecular formula C20H25F3N4O3 and a molecular weight of 426.44 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
PubChem CID90392023
Molecular FormulaC20H25F3N4O3
Molecular Weight426.44 g/mol
Exact Mass426.19
IUPAC Name2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
SMILESCOc1ccc(CCN(C)c2nc(N3CCOCC3)cc(=O)n2CC(F)(F)F)cc1
InChIInChI=1S/C20H25F3N4O3/c1-25(8-7-15-3-5-16(29-2)6-4-15)19-24-17(26-9-11-30-12-10-26)13-18(28)27(19)14-20(21,22)23/h3-6,13H,7-12,14H2,1-2H3
InChIKeyLNHJEUCVMNONBC-UHFFFAOYSA-N
XLogP2.33
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide
CID 123414703
N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886390
4-chloro-1-[(4-methoxyphenyl)methyl]-7-morpholin-4-ylpyrido[4,3-d]pyrimidin-2-one
CID 152510710
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
N-[2-(4-methoxyphenyl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 112886567
2-methyl-7-morpholin-4-yl-1-(2-phenylethyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 67775104
6-fluoro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 67961732
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one
CID 53186007
(2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 50899803
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide
CID 16890665
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551
N-methyl-2-morpholin-4-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112886568

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one (CID 90392023) is 2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one is COc1ccc(CCN(C)c2nc(N3CCOCC3)cc(=O)n2CC(F)(F)F)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The InChIKey is LNHJEUCVMNONBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O3/c1-25(8-7-15-3-5-16(29-2)6-4-15)19-24-17(26-9-11-30-12-10-26)13-18(28)27(19)14-20(21,22)23/h3-6,13H,7-12,14H2,1-2H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one has a molecular weight of 426.44 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one is sourced from PubChem (CID 90392023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).