6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide

C18H13F3N4O — CID 109348491

IUPAC6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(Nc2c(F)cccc2F)ncn1
InChIInChI=1S/C18H13F3N4O/c19-12-6-4-11(5-7-12)9-22-18(26)15-8-16(24-10-23-15)25-17-13(20)2-1-3-14(17)21/h1-8,10H,9H2,(H,22,26)(H,23,24,25)
InChIKeyMKIMXRMEYQZNNQ-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.57
Rot. Bonds5

About 6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide

6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109348491) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109348491
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(Nc2c(F)cccc2F)ncn1
InChIInChI=1S/C18H13F3N4O/c19-12-6-4-11(5-7-12)9-22-18(26)15-8-16(24-10-23-15)25-17-13(20)2-1-3-14(17)21/h1-8,10H,9H2,(H,22,26)(H,23,24,25)
InChIKeyMKIMXRMEYQZNNQ-UHFFFAOYSA-N
XLogP3.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348436
N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109346699
N-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109348490
N-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109352406
6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348464
2-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170627
6-(2-chloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348438
N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109346751
6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347441
6-(5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348442
6-(3,4-dimethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348458
6-(3-chloro-4-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348444

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide (CID 109348491) is 6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(Nc2c(F)cccc2F)ncn1.
What is the InChIKey of 6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is MKIMXRMEYQZNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c19-12-6-4-11(5-7-12)9-22-18(26)15-8-16(24-10-23-15)25-17-13(20)2-1-3-14(17)21/h1-8,10H,9H2,(H,22,26)(H,23,24,25).
What are the key properties of 6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 358.32 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109348491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).