N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide

C19H15F3N4O — CID 109256739

IUPACN-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C19H15F3N4O/c1-26(11-12-5-3-2-4-6-12)18(27)13-9-23-19(24-10-13)25-15-8-7-14(20)16(21)17(15)22/h2-10H,11H2,1H3,(H,23,24,25)
InChIKeyLOEVWVARRLCDOX-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.91
Rot. Bonds5

About N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide

N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide (PubChem CID 109256739) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide
PubChem CID109256739
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC NameN-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C19H15F3N4O/c1-26(11-12-5-3-2-4-6-12)18(27)13-9-23-19(24-10-13)25-15-8-7-14(20)16(21)17(15)22/h2-10H,11H2,1H3,(H,23,24,25)
InChIKeyLOEVWVARRLCDOX-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
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

N-benzyl-2-(2-fluoroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256680
N-benzyl-2-(4-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109256687
N-benzyl-2-(4-chloroanilino)-N-methylpyrimidine-5-carboxamide
CID 109256684
N-benzyl-N,6-dimethyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109328414
N-benzyl-2-(4-bromoanilino)-N-methylpyrimidine-5-carboxamide
CID 109256693
N-benzyl-2-(4-tert-butylanilino)-N-methylpyrimidine-5-carboxamide
CID 109256679
N-benzyl-N-ethyl-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109157654
N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide
CID 109246693
N-benzyl-N-methyl-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247874
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109156385
2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
CID 109265275
2-(2-fluoroanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109265884

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide (CID 109256739) is N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide is CN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(F)c(F)c2F)nc1.
What is the InChIKey of N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide?
The InChIKey is LOEVWVARRLCDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-26(11-12-5-3-2-4-6-12)18(27)13-9-23-19(24-10-13)25-15-8-7-14(20)16(21)17(15)22/h2-10H,11H2,1H3,(H,23,24,25).
What are the key properties of N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide?
N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).