N-(4-acetylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide

C19H15FN4O2 — CID 109357824

IUPACN-(4-acetylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(Nc3ccccc3F)ncn2)cc1
InChIInChI=1S/C19H15FN4O2/c1-12(25)13-6-8-14(9-7-13)23-19(26)17-10-18(22-11-21-17)24-16-5-3-2-4-15(16)20/h2-11H,1H3,(H,23,26)(H,21,22,24)
InChIKeyKNIKPGAQBDSPBD-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.81
Rot. Bonds5

About N-(4-acetylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide

N-(4-acetylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109357824) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide
PubChem CID109357824
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC NameN-(4-acetylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(Nc3ccccc3F)ncn2)cc1
InChIInChI=1S/C19H15FN4O2/c1-12(25)13-6-8-14(9-7-13)23-19(26)17-10-18(22-11-21-17)24-16-5-3-2-4-15(16)20/h2-11H,1H3,(H,23,26)(H,21,22,24)
InChIKeyKNIKPGAQBDSPBD-UHFFFAOYSA-N
XLogP3.81
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109357781
6-(2-fluoroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357645
N-(4-acetylphenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109198907
N-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356770
4-N-(4-acetylphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092659
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358027
N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109357249
6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357737
methyl 4-[[6-(2-chloroanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358072
1-[3-[[6-(2-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865643
6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356328
6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358001

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide (CID 109357824) is N-(4-acetylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(Nc3ccccc3F)ncn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is KNIKPGAQBDSPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-12(25)13-6-8-14(9-7-13)23-19(26)17-10-18(22-11-21-17)24-16-5-3-2-4-15(16)20/h2-11H,1H3,(H,23,26)(H,21,22,24).
What are the key properties of N-(4-acetylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide?
N-(4-acetylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).