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

C18H12F4N4O — CID 109336831

IUPACN-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2F)nc(Nc2ccc(F)c(F)c2F)n1
InChIInChI=1S/C18H12F4N4O/c1-9-8-14(17(27)24-12-5-3-2-4-10(12)19)26-18(23-9)25-13-7-6-11(20)15(21)16(13)22/h2-8H,1H3,(H,24,27)(H,23,25,26)
InChIKeyAHPSGGAWYYHADA-UHFFFAOYSA-N
MW376.31 g/mol
LogP4.34
Rot. Bonds4

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

N-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109336831) has the molecular formula C18H12F4N4O and a molecular weight of 376.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
PubChem CID109336831
Molecular FormulaC18H12F4N4O
Molecular Weight376.31 g/mol
Exact Mass376.09
IUPAC NameN-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2F)nc(Nc2ccc(F)c(F)c2F)n1
InChIInChI=1S/C18H12F4N4O/c1-9-8-14(17(27)24-12-5-3-2-4-10(12)19)26-18(23-9)25-13-7-6-11(20)15(21)16(13)22/h2-8H,1H3,(H,24,27)(H,23,25,26)
InChIKeyAHPSGGAWYYHADA-UHFFFAOYSA-N
XLogP4.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dimethylanilino)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109336125
2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334548
2-(2,6-dichloroanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336824
N-(2,6-difluorophenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336774
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109338225
N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109337606
2-(2-fluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336731
N-(2-tert-butylphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336679
2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336804
N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109336791
6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109338228
6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109321174

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide (CID 109336831) is N-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2F)nc(Nc2ccc(F)c(F)c2F)n1.
What is the InChIKey of N-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is AHPSGGAWYYHADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4O/c1-9-8-14(17(27)24-12-5-3-2-4-10(12)19)26-18(23-9)25-13-7-6-11(20)15(21)16(13)22/h2-8H,1H3,(H,24,27)(H,23,25,26).
What are the key properties of N-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
N-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 376.31 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109336831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).