6-[benzyl(methyl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide

C19H15F3N4O — CID 109347875

IUPAC6-[benzyl(methyl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ncn1
InChIInChI=1S/C19H15F3N4O/c1-26(10-12-5-3-2-4-6-12)16-9-15(23-11-24-16)19(27)25-14-8-7-13(20)17(21)18(14)22/h2-9,11H,10H2,1H3,(H,25,27)
InChIKeyGOTQXWZLKTZAJW-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.78
Rot. Bonds5

About 6-[benzyl(methyl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide

6-[benzyl(methyl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109347875) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
PubChem CID109347875
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name6-[benzyl(methyl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ncn1
InChIInChI=1S/C19H15F3N4O/c1-26(10-12-5-3-2-4-6-12)16-9-15(23-11-24-16)19(27)25-14-8-7-13(20)17(21)18(14)22/h2-9,11H,10H2,1H3,(H,25,27)
InChIKeyGOTQXWZLKTZAJW-UHFFFAOYSA-N
XLogP3.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109346615
methyl 3-[[6-[benzyl(methyl)amino]pyrimidine-4-carbonyl]amino]benzoate
CID 109347849
6-[benzyl(methyl)amino]-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109369394
6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 121167635
6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357363
N-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109347788
4-N-benzyl-4-N,6-dimethyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112917039
4-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyridine-2-carboxamide
CID 109211114
6-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109354111
6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide
CID 130551332
4-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109211074
6-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109348577

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[benzyl(methyl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (CID 109347875) is 6-[benzyl(methyl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[benzyl(methyl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[benzyl(methyl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is CN(Cc1ccccc1)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ncn1.
What is the InChIKey of 6-[benzyl(methyl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is GOTQXWZLKTZAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-26(10-12-5-3-2-4-6-12)16-9-15(23-11-24-16)19(27)25-14-8-7-13(20)17(21)18(14)22/h2-9,11H,10H2,1H3,(H,25,27).
What are the key properties of 6-[benzyl(methyl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
6-[benzyl(methyl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109347875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).