N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide

C19H15F3N4O2 — CID 109337606

IUPACN-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nc(Nc3ccc(F)c(F)c3F)n2)cc1
InChIInChI=1S/C19H15F3N4O2/c1-10-9-15(18(27)24-11-3-5-12(28-2)6-4-11)26-19(23-10)25-14-8-7-13(20)16(21)17(14)22/h3-9H,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyNORALTBCDAKHJK-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.21
Rot. Bonds5

About N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide

N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109337606) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
PubChem CID109337606
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC NameN-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nc(Nc3ccc(F)c(F)c3F)n2)cc1
InChIInChI=1S/C19H15F3N4O2/c1-10-9-15(18(27)24-11-3-5-12(28-2)6-4-11)26-19(23-10)25-14-8-7-13(20)16(21)17(14)22/h3-9H,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyNORALTBCDAKHJK-UHFFFAOYSA-N
XLogP4.21
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337405
N-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337357
N-(4-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334759
N-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109336831
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109338225
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109336791
2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336903
N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337577
2-(2-tert-butylanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336670
N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337413
6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109338228

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide (CID 109337606) is N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(C)nc(Nc3ccc(F)c(F)c3F)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is NORALTBCDAKHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-10-9-15(18(27)24-11-3-5-12(28-2)6-4-11)26-19(23-10)25-14-8-7-13(20)16(21)17(14)22/h3-9H,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109337606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).