N-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide

C20H17F3N4O — CID 109328414

IUPACN-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2)nc(Nc2ccc(F)c(F)c2F)n1
InChIInChI=1S/C20H17F3N4O/c1-12-10-16(19(28)27(2)11-13-6-4-3-5-7-13)26-20(24-12)25-15-9-8-14(21)17(22)18(15)23/h3-10H,11H2,1-2H3,(H,24,25,26)
InChIKeyLTKNYMZEZFSAMY-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.22
Rot. Bonds5

About N-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide

N-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109328414) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is N-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
PubChem CID109328414
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC NameN-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2)nc(Nc2ccc(F)c(F)c2F)n1
InChIInChI=1S/C20H17F3N4O/c1-12-10-16(19(28)27(2)11-13-6-4-3-5-7-13)26-20(24-12)25-15-9-8-14(21)17(22)18(15)23/h3-10H,11H2,1-2H3,(H,24,25,26)
InChIKeyLTKNYMZEZFSAMY-UHFFFAOYSA-N
XLogP4.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)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

4-N-benzyl-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112917039
N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide
CID 109256739
N-benzyl-2-(2-methoxy-5-methylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109328390
N-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109336831
6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109321174
6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carbothioamide
CID 107546277
N-benzyl-2-(2-chloroanilino)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109329583
N-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methylbenzamide
CID 100779100
2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109335319
2-(2-fluoroanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332533
2-(2,3-dimethylanilino)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109336125
N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109337606

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide (CID 109328414) is N-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)Cc2ccccc2)nc(Nc2ccc(F)c(F)c2F)n1.
What is the InChIKey of N-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is LTKNYMZEZFSAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-12-10-16(19(28)27(2)11-13-6-4-3-5-7-13)26-20(24-12)25-15-9-8-14(21)17(22)18(15)23/h3-10H,11H2,1-2H3,(H,24,25,26).
What are the key properties of N-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
N-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109328414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).