N-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

C16H17F3N4O2 — CID 109323797

IUPACN-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(C)nc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H17F3N4O2/c1-10-8-13(14(24)20-6-7-25-2)23-15(21-10)22-12-5-3-4-11(9-12)16(17,18)19/h3-5,8-9H,6-7H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyDFKFUHCTCSUGIR-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.92
Rot. Bonds6

About N-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

N-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (PubChem CID 109323797) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
PubChem CID109323797
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC NameN-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(C)nc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H17F3N4O2/c1-10-8-13(14(24)20-6-7-25-2)23-15(21-10)22-12-5-3-4-11(9-12)16(17,18)19/h3-5,8-9H,6-7H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyDFKFUHCTCSUGIR-UHFFFAOYSA-N
XLogP2.92
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-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

N-(3-methoxypropyl)-6-methyl-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109324146
2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide
CID 109323755
N-(3-methoxypropyl)-2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109365282
2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324147
2-(3-cyanoanilino)-6-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109337788
6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carbothioamide
CID 107546239
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109166817
N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109251795
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331076
2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324105
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333205

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (CID 109323797) is N-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is COCCNC(=O)c1cc(C)nc(Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The InChIKey is DFKFUHCTCSUGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-10-8-13(14(24)20-6-7-25-2)23-15(21-10)22-12-5-3-4-11(9-12)16(17,18)19/h3-5,8-9H,6-7H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of N-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
N-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109323797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).