6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

C20H19FN4O — CID 109368872

IUPAC6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(Nc3ccccc3F)nc(C)n2)c1
InChIInChI=1S/C20H19FN4O/c1-13-6-5-7-15(10-13)12-22-20(26)18-11-19(24-14(2)23-18)25-17-9-4-3-8-16(17)21/h3-11H,12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyFFWLWYVGXAICED-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.91
Rot. Bonds5

About 6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109368872) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109368872
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(Nc3ccccc3F)nc(C)n2)c1
InChIInChI=1S/C20H19FN4O/c1-13-6-5-7-15(10-13)12-22-20(26)18-11-19(24-14(2)23-18)25-17-9-4-3-8-16(17)21/h3-11H,12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyFFWLWYVGXAICED-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368156
6-(2,4-dimethoxyanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368893
N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109372800
6-(2-ethylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369694
6-(2,3-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369893
6-(2-chloroanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369705
6-(2-fluoroanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848419
6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360683
6-(2-methoxyethylamino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364633
2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369063
N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109370162
N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109368422

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109368872) is 6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1cccc(CNC(=O)c2cc(Nc3ccccc3F)nc(C)n2)c1.
What is the InChIKey of 6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is FFWLWYVGXAICED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-13-6-5-7-15(10-13)12-22-20(26)18-11-19(24-14(2)23-18)25-17-9-4-3-8-16(17)21/h3-11H,12H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.91, 5 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-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109368872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).