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

C17H10F4N4O — CID 109357987

IUPAC6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C17H10F4N4O/c18-9-1-3-10(4-2-9)24-14-7-13(22-8-23-14)17(26)25-12-6-5-11(19)15(20)16(12)21/h1-8H,(H,25,26)(H,22,23,24)
InChIKeyPMCNDKADHAHCSC-UHFFFAOYSA-N
MW362.29 g/mol
LogP4.03
Rot. Bonds4

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

6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109357987) has the molecular formula C17H10F4N4O and a molecular weight of 362.29 g/mol. Its IUPAC name is 6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
PubChem CID109357987
Molecular FormulaC17H10F4N4O
Molecular Weight362.29 g/mol
Exact Mass362.08
IUPAC Name6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C17H10F4N4O/c18-9-1-3-10(4-2-9)24-14-7-13(22-8-23-14)17(26)25-12-6-5-11(19)15(20)16(12)21/h1-8H,(H,25,26)(H,22,23,24)
InChIKeyPMCNDKADHAHCSC-UHFFFAOYSA-N
XLogP4.03
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(4-fluoroanilino)-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-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357363
N-(2,5-dichlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357976
6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109355773
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358027
6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357328
N-(3-chlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357928
N-(2,3-dimethylphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357205
N-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109348490
N-(2-tert-butylphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357752
6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109359773
N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109359088
N-[4-(diethylamino)-2-methylphenyl]-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357981

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (CID 109357987) is 6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1cc(Nc2ccc(F)cc2)ncn1.
What is the InChIKey of 6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is PMCNDKADHAHCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N4O/c18-9-1-3-10(4-2-9)24-14-7-13(22-8-23-14)17(26)25-12-6-5-11(19)15(20)16(12)21/h1-8H,(H,25,26)(H,22,23,24).
What are the key properties of 6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 362.29 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).