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

C20H21F3N4O4 — CID 19787910

IUPAC2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(=O)Nc1cnc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O
InChIInChI=1S/C20H21F3N4O4/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/h4-9,11,16H,10H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyIARXDQIXFCOKSJ-UHFFFAOYSA-N
MW438.41 g/mol
LogP2.14
Rot. Bonds7

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

2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 19787910) has the molecular formula C20H21F3N4O4 and a molecular weight of 438.41 g/mol. Its IUPAC name is 2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID19787910
Molecular FormulaC20H21F3N4O4
Molecular Weight438.41 g/mol
Exact Mass438.15
IUPAC Name2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(=O)Nc1cnc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O
InChIInChI=1S/C20H21F3N4O4/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/h4-9,11,16H,10H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyIARXDQIXFCOKSJ-UHFFFAOYSA-N
XLogP2.14
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Oxo-3-[[(methylamino)sulfonyl]amino]-6-phenyl-N-[1-(trifluoroacetyl)-2-methylpropyl]pyridine-1(2H)-acetamide
CID 1636
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
2-(3-Ethylamino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10093766
2-(3-Amino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10250073
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-(3-Acetylamino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10071747
2-(4-Fluorophenyl)-5-((methoxycarbonyl)amino)pyrimidin-4-one-3-ethanoylvaline-trifluoromethylketone
CID 10457506
2-[2-oxo-6-phenyl-3-(sulfamoylamino)-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
CID 10457598
2-(3-Formylamino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10477377
2-[2-(4-aminophenyl)-5-(methanesulfonamido)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
CID 1526

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 19787910) is 2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is CC(=O)Nc1cnc(-c2ccccc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O.
What is the InChIKey of 2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is IARXDQIXFCOKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O4/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/h4-9,11,16H,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-4-methyl-2-oxopentan-3-yl)acetamide?
2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 438.41 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 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-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 19787910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).