6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide

C18H12F4N4O — CID 112849811

IUPAC6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2F)cc(C(=O)Nc2ccc(F)c(F)c2F)n1
InChIInChI=1S/C18H12F4N4O/c1-9-23-14(8-15(24-9)25-12-5-3-2-4-10(12)19)18(27)26-13-7-6-11(20)16(21)17(13)22/h2-8H,1H3,(H,26,27)(H,23,24,25)
InChIKeyRUYFVMPDHFTPJY-UHFFFAOYSA-N
MW376.31 g/mol
LogP4.34
Rot. Bonds4

About 6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide

6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (PubChem CID 112849811) has the molecular formula C18H12F4N4O and a molecular weight of 376.31 g/mol. Its IUPAC name is 6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
PubChem CID112849811
Molecular FormulaC18H12F4N4O
Molecular Weight376.31 g/mol
Exact Mass376.09
IUPAC Name6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2F)cc(C(=O)Nc2ccc(F)c(F)c2F)n1
InChIInChI=1S/C18H12F4N4O/c1-9-23-14(8-15(24-9)25-12-5-3-2-4-10(12)19)18(27)26-13-7-6-11(20)16(21)17(13)22/h2-8H,1H3,(H,26,27)(H,23,24,25)
InChIKeyRUYFVMPDHFTPJY-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'}

Analyze 6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849855
6-(3,4-difluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112851218
6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849859
6-(2-fluoroanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848419
6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849315
N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 112848349
6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360683
N-(4-ethylphenyl)-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 112849470
6-(3,4-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849857
6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850469
N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109372800
N-(2-fluorophenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109336831

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (CID 112849811) is 6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is Cc1nc(Nc2ccccc2F)cc(C(=O)Nc2ccc(F)c(F)c2F)n1.
What is the InChIKey of 6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is RUYFVMPDHFTPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4O/c1-9-23-14(8-15(24-9)25-12-5-3-2-4-10(12)19)18(27)26-13-7-6-11(20)16(21)17(13)22/h2-8H,1H3,(H,26,27)(H,23,24,25).
What are the key properties of 6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)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 6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112849811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).