2-(1-acetyl-2-propan-2-ylimidazol-4-yl)-5-fluoro-1H-pyrimidin-6-one

C12H13FN4O2 — CID 158083570

IUPAC2-(1-acetyl-2-propan-2-ylimidazol-4-yl)-5-fluoro-1H-pyrimidin-6-one
SMILESCC(=O)n1cc(-c2ncc(F)c(=O)[nH]2)nc1C(C)C
InChIInChI=1S/C12H13FN4O2/c1-6(2)11-15-9(5-17(11)7(3)18)10-14-4-8(13)12(19)16-10/h4-6H,1-3H3,(H,14,16,19)
InChIKeyYNALJOTUFWLUCG-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.56
Rot. Bonds2

About 2-(1-acetyl-2-propan-2-ylimidazol-4-yl)-5-fluoro-1H-pyrimidin-6-one

2-(1-acetyl-2-propan-2-ylimidazol-4-yl)-5-fluoro-1H-pyrimidin-6-one (PubChem CID 158083570) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-(1-acetyl-2-propan-2-ylimidazol-4-yl)-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-acetyl-2-propan-2-ylimidazol-4-yl)-5-fluoro-1H-pyrimidin-6-one
PubChem CID158083570
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name2-(1-acetyl-2-propan-2-ylimidazol-4-yl)-5-fluoro-1H-pyrimidin-6-one
SMILESCC(=O)n1cc(-c2ncc(F)c(=O)[nH]2)nc1C(C)C
InChIInChI=1S/C12H13FN4O2/c1-6(2)11-15-9(5-17(11)7(3)18)10-14-4-8(13)12(19)16-10/h4-6H,1-3H3,(H,14,16,19)
InChIKeyYNALJOTUFWLUCG-UHFFFAOYSA-N
XLogP1.56
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-2-propan-2-ylimidazol-4-yl)-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-acetyl-2-propan-2-ylimidazol-4-yl)-5-fluoro-1H-pyrimidin-6-one (CID 158083570) is 2-(1-acetyl-2-propan-2-ylimidazol-4-yl)-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-acetyl-2-propan-2-ylimidazol-4-yl)-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-acetyl-2-propan-2-ylimidazol-4-yl)-5-fluoro-1H-pyrimidin-6-one is CC(=O)n1cc(-c2ncc(F)c(=O)[nH]2)nc1C(C)C.
What is the InChIKey of 2-(1-acetyl-2-propan-2-ylimidazol-4-yl)-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is YNALJOTUFWLUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-6(2)11-15-9(5-17(11)7(3)18)10-14-4-8(13)12(19)16-10/h4-6H,1-3H3,(H,14,16,19).
What are the key properties of 2-(1-acetyl-2-propan-2-ylimidazol-4-yl)-5-fluoro-1H-pyrimidin-6-one?
2-(1-acetyl-2-propan-2-ylimidazol-4-yl)-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 264.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-2-propan-2-ylimidazol-4-yl)-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 158083570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).