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

C20H23F3N4O4 — CID 142592650

IUPAC4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2nc(C(F)(F)F)ncc2C(=O)NCCN2CCOCC2)cc1OC
InChIInChI=1S/C20H23F3N4O4/c1-29-15-4-3-13(11-16(15)30-2)17-14(12-25-19(26-17)20(21,22)23)18(28)24-5-6-27-7-9-31-10-8-27/h3-4,11-12H,5-10H2,1-2H3,(H,24,28)
InChIKeyUPYAVTDKDBSUQO-UHFFFAOYSA-N
MW440.42 g/mol
LogP2.24
Rot. Bonds7

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

4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 142592650) has the molecular formula C20H23F3N4O4 and a molecular weight of 440.42 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID142592650
Molecular FormulaC20H23F3N4O4
Molecular Weight440.42 g/mol
Exact Mass440.17
IUPAC Name4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(-c2nc(C(F)(F)F)ncc2C(=O)NCCN2CCOCC2)cc1OC
InChIInChI=1S/C20H23F3N4O4/c1-29-15-4-3-13(11-16(15)30-2)17-14(12-25-19(26-17)20(21,22)23)18(28)24-5-6-27-7-9-31-10-8-27/h3-4,11-12H,5-10H2,1-2H3,(H,24,28)
InChIKeyUPYAVTDKDBSUQO-UHFFFAOYSA-N
XLogP2.24
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-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

Related Compounds

2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 25218698
2-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 11478504
2-(benzylamino)-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 25218700
2-[benzyl(methyl)amino]-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 25218701
2-{[(3-methoxyphenyl)methyl]amino}-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 25218705
2-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 25218706
N-(2-phenoxyethyl)-2-[(2-phenylethyl)amino]-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 25218709
2-{[2-(2-methoxyphenyl)ethyl]amino}-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 25218711
2-{[2-(3-methoxyphenyl)ethyl]amino}-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 25218712
2-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-4-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
CID 25218729
11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one
CID 3821685
10,11-dimethoxy-7,8,12b,13-tetrahydro-5H-1,3,6-triazatetraphen-5-one
CID 4309119

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide (CID 142592650) is 4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide is COc1ccc(-c2nc(C(F)(F)F)ncc2C(=O)NCCN2CCOCC2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is UPYAVTDKDBSUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O4/c1-29-15-4-3-13(11-16(15)30-2)17-14(12-25-19(26-17)20(21,22)23)18(28)24-5-6-27-7-9-31-10-8-27/h3-4,11-12H,5-10H2,1-2H3,(H,24,28).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide?
4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 440.42 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 142592650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).