2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide

C22H19F3N4O3 — CID 15435301

IUPAC2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide
SMILESNc1cnc(-c2ccccc2)n(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)F)c1=O
InChIInChI=1S/C22H19F3N4O3/c23-22(24,25)19(31)17(11-14-7-3-1-4-8-14)28-18(30)13-29-20(15-9-5-2-6-10-15)27-12-16(26)21(29)32/h1-10,12,17H,11,13,26H2,(H,28,30)
InChIKeyGWSVUKBGTRQASO-UHFFFAOYSA-N
MW444.41 g/mol
LogP2.35
Rot. Bonds7

About 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide

2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide (PubChem CID 15435301) has the molecular formula C22H19F3N4O3 and a molecular weight of 444.41 g/mol. Its IUPAC name is 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide
PubChem CID15435301
Molecular FormulaC22H19F3N4O3
Molecular Weight444.41 g/mol
Exact Mass444.14
IUPAC Name2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide
SMILESNc1cnc(-c2ccccc2)n(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)F)c1=O
InChIInChI=1S/C22H19F3N4O3/c23-22(24,25)19(31)17(11-14-7-3-1-4-8-14)28-18(30)13-29-20(15-9-5-2-6-10-15)27-12-16(26)21(29)32/h1-10,12,17H,11,13,26H2,(H,28,30)
InChIKeyGWSVUKBGTRQASO-UHFFFAOYSA-N
XLogP2.35
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide (CID 15435301) is 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide is Nc1cnc(-c2ccccc2)n(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)F)c1=O.
What is the InChIKey of 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide?
The InChIKey is GWSVUKBGTRQASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O3/c23-22(24,25)19(31)17(11-14-7-3-1-4-8-14)28-18(30)13-29-20(15-9-5-2-6-10-15)27-12-16(26)21(29)32/h1-10,12,17H,11,13,26H2,(H,28,30).
What are the key properties of 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide?
2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide has a molecular weight of 444.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 15435301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).