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

C18H21F3N4O3 — CID 19787889

IUPAC2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ncc(N)c1=O)C(O)C(F)(F)F
InChIInChI=1S/C18H21F3N4O3/c1-10(2)14(15(27)18(19,20)21)24-13(26)9-25-16(11-6-4-3-5-7-11)23-8-12(22)17(25)28/h3-8,10,14-15,27H,9,22H2,1-2H3,(H,24,26)
InChIKeyUCMPQAAENREZGC-UHFFFAOYSA-N
MW398.39 g/mol
LogP1.56
Rot. Bonds6

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

2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide (PubChem CID 19787889) has the molecular formula C18H21F3N4O3 and a molecular weight of 398.39 g/mol. Its IUPAC name is 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
PubChem CID19787889
Molecular FormulaC18H21F3N4O3
Molecular Weight398.39 g/mol
Exact Mass398.16
IUPAC Name2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ncc(N)c1=O)C(O)C(F)(F)F
InChIInChI=1S/C18H21F3N4O3/c1-10(2)14(15(27)18(19,20)21)24-13(26)9-25-16(11-6-4-3-5-7-11)23-8-12(22)17(25)28/h3-8,10,14-15,27H,9,22H2,1-2H3,(H,24,26)
InChIKeyUCMPQAAENREZGC-UHFFFAOYSA-N
XLogP1.56
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 51.56
H-Bond Donors ≤ 53
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-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide?
The IUPAC name of 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide (CID 19787889) is 2-(5-amino-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-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ncc(N)c1=O)C(O)C(F)(F)F.
What is the InChIKey of 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide?
The InChIKey is UCMPQAAENREZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O3/c1-10(2)14(15(27)18(19,20)21)24-13(26)9-25-16(11-6-4-3-5-7-11)23-8-12(22)17(25)28/h3-8,10,14-15,27H,9,22H2,1-2H3,(H,24,26).
What are the key properties of 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide?
2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide has a molecular weight of 398.39 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 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-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide is sourced from PubChem (CID 19787889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).