2-(2,4-dichlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]pyrimidin-4-one

C23H20Cl2F3N3O2 — CID 69460504

IUPAC2-(2,4-dichlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]pyrimidin-4-one
SMILESCC1CN(c2cc(=O)n(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(Cl)cc3Cl)n2)CC(C)O1
InChIInChI=1S/C23H20Cl2F3N3O2/c1-13-11-30(12-14(2)33-13)20-10-21(32)31(17-6-3-15(4-7-17)23(26,27)28)22(29-20)18-8-5-16(24)9-19(18)25/h3-10,13-14H,11-12H2,1-2H3
InChIKeyAJDPWTOSIKKHFV-UHFFFAOYSA-N
MW498.33 g/mol
LogP5.84
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]pyrimidin-4-one

2-(2,4-dichlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]pyrimidin-4-one (PubChem CID 69460504) has the molecular formula C23H20Cl2F3N3O2 and a molecular weight of 498.33 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]pyrimidin-4-one
PubChem CID69460504
Molecular FormulaC23H20Cl2F3N3O2
Molecular Weight498.33 g/mol
Exact Mass497.09
IUPAC Name2-(2,4-dichlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]pyrimidin-4-one
SMILESCC1CN(c2cc(=O)n(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(Cl)cc3Cl)n2)CC(C)O1
InChIInChI=1S/C23H20Cl2F3N3O2/c1-13-11-30(12-14(2)33-13)20-10-21(32)31(17-6-3-15(4-7-17)23(26,27)28)22(29-20)18-8-5-16(24)9-19(18)25/h3-10,13-14H,11-12H2,1-2H3
InChIKeyAJDPWTOSIKKHFV-UHFFFAOYSA-N
XLogP5.84
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.33
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dichlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]pyrimidin-4-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]pyrimidin-4-one (CID 69460504) is 2-(2,4-dichlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]pyrimidin-4-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]pyrimidin-4-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]pyrimidin-4-one is CC1CN(c2cc(=O)n(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(Cl)cc3Cl)n2)CC(C)O1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]pyrimidin-4-one?
The InChIKey is AJDPWTOSIKKHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2F3N3O2/c1-13-11-30(12-14(2)33-13)20-10-21(32)31(17-6-3-15(4-7-17)23(26,27)28)22(29-20)18-8-5-16(24)9-19(18)25/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]pyrimidin-4-one?
2-(2,4-dichlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]pyrimidin-4-one has a molecular weight of 498.33 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-3-[4-(trifluoromethyl)phenyl]pyrimidin-4-one is sourced from PubChem (CID 69460504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).