2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

C20H18F2N4O2 — CID 53201949

IUPAC2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cc(=O)n(CC(=O)NCc2ccc(F)cc2)c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C20H18F2N4O2/c1-13-10-19(28)26(20(24-13)25-17-8-6-16(22)7-9-17)12-18(27)23-11-14-2-4-15(21)5-3-14/h2-10H,11-12H2,1H3,(H,23,27)(H,24,25)
InChIKeyGTDFPZYZSVTQGH-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.89
Rot. Bonds6

About 2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 53201949) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID53201949
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cc(=O)n(CC(=O)NCc2ccc(F)cc2)c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C20H18F2N4O2/c1-13-10-19(28)26(20(24-13)25-17-8-6-16(22)7-9-17)12-18(27)23-11-14-2-4-15(21)5-3-14/h2-10H,11-12H2,1H3,(H,23,27)(H,24,25)
InChIKeyGTDFPZYZSVTQGH-UHFFFAOYSA-N
XLogP2.89
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide
CID 53201963
N-(4-bromophenyl)-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 50928548
N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
CID 53201916
N-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028562
N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
CID 53201917
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 108807948
N-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51364699
2-[5-(3-fluoro-4-methylanilino)-7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53201351
2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 71700514
N-[(4-fluorophenyl)methyl]-2-[7-(4-methylanilino)-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl]acetamide
CID 53201513
N-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide
CID 7748810
N-(3-bromophenyl)-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51364728

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 53201949) is 2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is Cc1cc(=O)n(CC(=O)NCc2ccc(F)cc2)c(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is GTDFPZYZSVTQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-13-10-19(28)26(20(24-13)25-17-8-6-16(22)7-9-17)12-18(27)23-11-14-2-4-15(21)5-3-14/h2-10H,11-12H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 384.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 53201949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).