N-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

C21H21FN4O — CID 112849679

IUPACN-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(Nc2cc(C(=O)Nc3cccc(F)c3)nc(C)n2)c(C)c1
InChIInChI=1S/C21H21FN4O/c1-12-8-13(2)20(14(3)9-12)26-19-11-18(23-15(4)24-19)21(27)25-17-7-5-6-16(22)10-17/h5-11H,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyOSASNADDRKPOEJ-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.85
Rot. Bonds4

About N-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

N-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (PubChem CID 112849679) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
PubChem CID112849679
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(Nc2cc(C(=O)Nc3cccc(F)c3)nc(C)n2)c(C)c1
InChIInChI=1S/C21H21FN4O/c1-12-8-13(2)20(14(3)9-12)26-19-11-18(23-15(4)24-19)21(27)25-17-7-5-6-16(22)10-17/h5-11H,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyOSASNADDRKPOEJ-UHFFFAOYSA-N
XLogP4.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850112
6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850309
6-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849071
N-(3-chloro-4-methoxyphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850391
6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849955
N-(3-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369217
N-(3-chloro-2-methylphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850219
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849685
6-(3-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849930
N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849682
6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848448
6-(2,6-difluoroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850600

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (CID 112849679) is N-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is Cc1cc(C)c(Nc2cc(C(=O)Nc3cccc(F)c3)nc(C)n2)c(C)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is OSASNADDRKPOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-12-8-13(2)20(14(3)9-12)26-19-11-18(23-15(4)24-19)21(27)25-17-7-5-6-16(22)10-17/h5-11H,1-4H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
N-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112849679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).