2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide

C20H23F3N4O4 — CID 19787913

IUPAC2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
SMILESCC(=O)Nc1cnc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(O)C(F)(F)F)c1=O
InChIInChI=1S/C20H23F3N4O4/c1-11(2)16(17(30)20(21,22)23)26-15(29)10-27-18(13-7-5-4-6-8-13)24-9-14(19(27)31)25-12(3)28/h4-9,11,16-17,30H,10H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyMYHNYVXAFOSJCT-UHFFFAOYSA-N
MW440.42 g/mol
LogP1.93
Rot. Bonds7

About 2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide

2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide (PubChem CID 19787913) has the molecular formula C20H23F3N4O4 and a molecular weight of 440.42 g/mol. Its IUPAC name is 2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
PubChem CID19787913
Molecular FormulaC20H23F3N4O4
Molecular Weight440.42 g/mol
Exact Mass440.17
IUPAC Name2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
SMILESCC(=O)Nc1cnc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(O)C(F)(F)F)c1=O
InChIInChI=1S/C20H23F3N4O4/c1-11(2)16(17(30)20(21,22)23)26-15(29)10-27-18(13-7-5-4-6-8-13)24-9-14(19(27)31)25-12(3)28/h4-9,11,16-17,30H,10H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyMYHNYVXAFOSJCT-UHFFFAOYSA-N
XLogP1.93
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677593
2-[2-(4-Fluoro-phenyl)-5-methylamino-6-oxo-6H-pyrimidin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10002668
2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10024782
{6-Oxo-2-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,6-dihydro-pyrimidin-5-yl}-carbamic acid 2,2,2-trifluoro-ethyl ester
CID 10075424
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-hydroxy-1-methylpiperidin-2-yl]-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677474
2-[5-Amino-2-(3,5-difluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10002900
2-(4-Fluorophenyl)-5-((methoxycarbonyl)amino)pyrimidin-4-one-3-ethanoylvaline-trifluoromethylketone
CID 10457506
2,2,2-Trifluoro-N-{6-oxo-2-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,6-dihydro-pyrimidin-5-yl}-acetamide
CID 9983109
{6-Oxo-2-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,6-dihydro-pyrimidin-5-yl}-thiocarbamic acid methyl ester
CID 10073426
{2-(4-Fluoro-phenyl)-6-oxo-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,6-dihydro-pyrimidin-5-yl}-thiocarbamic acid methyl ester
CID 10435585
2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]acetamide
CID 23585841
2-[2-(4-aminophenyl)-5-(methanesulfonamido)-6-oxopyrimidin-1-yl]-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]acetamide
CID 23585842

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide?
The IUPAC name of 2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide (CID 19787913) is 2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide is CC(=O)Nc1cnc(-c2ccccc2)n(CC(=O)NC(C(C)C)C(O)C(F)(F)F)c1=O.
What is the InChIKey of 2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide?
The InChIKey is MYHNYVXAFOSJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O4/c1-11(2)16(17(30)20(21,22)23)26-15(29)10-27-18(13-7-5-4-6-8-13)24-9-14(19(27)31)25-12(3)28/h4-9,11,16-17,30H,10H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide?
2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide has a molecular weight of 440.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide is sourced from PubChem (CID 19787913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).