2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

C20H17F3N4O — CID 109255765

IUPAC2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESCc1ccccc1CNc1ncc(C(=O)Nc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C20H17F3N4O/c1-13-6-2-3-7-14(13)10-24-19-25-11-15(12-26-19)18(28)27-17-9-5-4-8-16(17)20(21,22)23/h2-9,11-12H,10H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyWNRMINZFBJLZBH-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.67
Rot. Bonds5

About 2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide

2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (PubChem CID 109255765) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
PubChem CID109255765
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
SMILESCc1ccccc1CNc1ncc(C(=O)Nc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C20H17F3N4O/c1-13-6-2-3-7-14(13)10-24-19-25-11-15(12-26-19)18(28)27-17-9-5-4-8-16(17)20(21,22)23/h2-9,11-12H,10H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyWNRMINZFBJLZBH-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109257093
N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257067
N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255747
methyl 4-[[2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonyl]amino]benzoate
CID 109255774
6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109155532
6-(methylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 62186448
2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109249844
N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108945471
2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide
CID 145489207
2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270003
N-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155684
2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270001

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide (CID 109255765) is 2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is Cc1ccccc1CNc1ncc(C(=O)Nc2ccccc2C(F)(F)F)cn1.
What is the InChIKey of 2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is WNRMINZFBJLZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-13-6-2-3-7-14(13)10-24-19-25-11-15(12-26-19)18(28)27-17-9-5-4-8-16(17)20(21,22)23/h2-9,11-12H,10H2,1H3,(H,27,28)(H,24,25,26).
What are the key properties of 2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide?
2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109255765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).