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

C19H19F3N4O4 — CID 19787920

IUPAC2-(5-formamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ncc(NC=O)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C19H19F3N4O4/c1-11(2)15(16(29)19(20,21)22)25-14(28)9-26-17(12-6-4-3-5-7-12)23-8-13(18(26)30)24-10-27/h3-8,10-11,15H,9H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyIQDUSIAZLKMRBS-UHFFFAOYSA-N
MW424.38 g/mol
LogP1.75
Rot. Bonds8

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

2-(5-formamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 19787920) has the molecular formula C19H19F3N4O4 and a molecular weight of 424.38 g/mol. Its IUPAC name is 2-(5-formamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-formamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID19787920
Molecular FormulaC19H19F3N4O4
Molecular Weight424.38 g/mol
Exact Mass424.14
IUPAC Name2-(5-formamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ncc(NC=O)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C19H19F3N4O4/c1-11(2)15(16(29)19(20,21)22)25-14(28)9-26-17(12-6-4-3-5-7-12)23-8-13(18(26)30)24-10-27/h3-8,10-11,15H,9H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyIQDUSIAZLKMRBS-UHFFFAOYSA-N
XLogP1.75
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-formamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(5-formamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 19787920) is 2-(5-formamido-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-formamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(5-formamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ncc(NC=O)c1=O)C(=O)C(F)(F)F.
What is the InChIKey of 2-(5-formamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is IQDUSIAZLKMRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O4/c1-11(2)15(16(29)19(20,21)22)25-14(28)9-26-17(12-6-4-3-5-7-12)23-8-13(18(26)30)24-10-27/h3-8,10-11,15H,9H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-(5-formamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
2-(5-formamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 424.38 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formamido-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 19787920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).