4-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide

C18H20F3N3O3 — CID 142592663

IUPAC4-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(C(F)(F)F)nc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H20F3N3O3/c1-5-24(6-2)16(25)12-10-22-17(18(19,20)21)23-15(12)11-7-8-13(26-3)14(9-11)27-4/h7-10H,5-6H2,1-4H3
InChIKeyFPFMHWUPGYRXFL-UHFFFAOYSA-N
MW383.37 g/mol
LogP3.66
Rot. Bonds6

About 4-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide

4-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 142592663) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID142592663
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name4-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(C(F)(F)F)nc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H20F3N3O3/c1-5-24(6-2)16(25)12-10-22-17(18(19,20)21)23-15(12)11-7-8-13(26-3)14(9-11)27-4/h7-10H,5-6H2,1-4H3
InChIKeyFPFMHWUPGYRXFL-UHFFFAOYSA-N
XLogP3.66
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide 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 4-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide (CID 142592663) is 4-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc(C(F)(F)F)nc1-c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is FPFMHWUPGYRXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-5-24(6-2)16(25)12-10-22-17(18(19,20)21)23-15(12)11-7-8-13(26-3)14(9-11)27-4/h7-10H,5-6H2,1-4H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide?
4-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 142592663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).