6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide

C18H13F3N4O — CID 112849855

IUPAC6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)cc2F)cc(C(=O)Nc2ccccc2F)n1
InChIInChI=1S/C18H13F3N4O/c1-10-22-16(18(26)25-14-5-3-2-4-12(14)20)9-17(23-10)24-15-7-6-11(19)8-13(15)21/h2-9H,1H3,(H,25,26)(H,22,23,24)
InChIKeyHKVOVYGXZVJRNU-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.20
Rot. Bonds4

About 6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide

6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112849855) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112849855
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)cc2F)cc(C(=O)Nc2ccccc2F)n1
InChIInChI=1S/C18H13F3N4O/c1-10-22-16(18(26)25-14-5-3-2-4-12(14)20)9-17(23-10)24-15-7-6-11(19)8-13(15)21/h2-9H,1H3,(H,25,26)(H,22,23,24)
InChIKeyHKVOVYGXZVJRNU-UHFFFAOYSA-N
XLogP4.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850469
6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112849811
6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849315
6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849859
N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 112848349
6-(2-fluoroanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848419
6-(3,4-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849857
N-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370065
6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360683
6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371993
6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849834
N-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364780

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide (CID 112849855) is 6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2ccc(F)cc2F)cc(C(=O)Nc2ccccc2F)n1.
What is the InChIKey of 6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is HKVOVYGXZVJRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c1-10-22-16(18(26)25-14-5-3-2-4-12(14)20)9-17(23-10)24-15-7-6-11(19)8-13(15)21/h2-9H,1H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 358.32 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112849855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).