6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide

C20H19FN4O — CID 112849315

IUPAC6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1cc(C(=O)Nc2ccccc2F)nc(C)n1
InChIInChI=1S/C20H19FN4O/c1-3-14-8-4-6-10-16(14)24-19-12-18(22-13(2)23-19)20(26)25-17-11-7-5-9-15(17)21/h4-12H,3H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyNKPYFZXDOIMJCN-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.48
Rot. Bonds5

About 6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide

6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112849315) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112849315
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1cc(C(=O)Nc2ccccc2F)nc(C)n1
InChIInChI=1S/C20H19FN4O/c1-3-14-8-4-6-10-16(14)24-19-12-18(22-13(2)23-19)20(26)25-17-11-7-5-9-15(17)21/h4-12H,3H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyNKPYFZXDOIMJCN-UHFFFAOYSA-N
XLogP4.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-ethylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369694
6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849855
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
N-(2-ethylphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849362
6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112849811
6-(3,4-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849857
6-(2-fluoroanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848419
6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849834
6-(2-chloroanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369705
6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 75538748
6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360683

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide (CID 112849315) is 6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide is CCc1ccccc1Nc1cc(C(=O)Nc2ccccc2F)nc(C)n1.
What is the InChIKey of 6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is NKPYFZXDOIMJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-3-14-8-4-6-10-16(14)24-19-12-18(22-13(2)23-19)20(26)25-17-11-7-5-9-15(17)21/h4-12H,3H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112849315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).