N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

C20H17F3N4O — CID 109304137

IUPACN-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccnc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H17F3N4O/c1-13-4-2-3-5-14(13)12-25-18(28)17-10-11-24-19(27-17)26-16-8-6-15(7-9-16)20(21,22)23/h2-11H,12H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyZFDVTFOBZHELTR-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.48
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (PubChem CID 109304137) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
PubChem CID109304137
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC NameN-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccnc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H17F3N4O/c1-13-4-2-3-5-14(13)12-25-18(28)17-10-11-24-19(27-17)26-16-8-6-15(7-9-16)20(21,22)23/h2-11H,12H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyZFDVTFOBZHELTR-UHFFFAOYSA-N
XLogP4.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-methylphenyl)methyl]-2-[4-(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

2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304126
2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304118
2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109313447
2-(3-chloro-4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304121
N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide
CID 109303825
methyl 3-[[4-[(2-methylphenyl)methylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109304143
2-(4-tert-butylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307662
2-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306303
methyl 4-[[4-[(2-fluorophenyl)methylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109305468
2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304129
2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802
1-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 98000588

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (CID 109304137) is N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is Cc1ccccc1CNC(=O)c1ccnc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The InChIKey is ZFDVTFOBZHELTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-13-4-2-3-5-14(13)12-25-18(28)17-10-11-24-19(27-17)26-16-8-6-15(7-9-16)20(21,22)23/h2-11H,12H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109304137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).