5-fluoro-1-[1-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine-2,4-dione

C11H17FN2O3 — CID 121459566

IUPAC5-fluoro-1-[1-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine-2,4-dione
SMILESCCC(OC(C)(C)C)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H17FN2O3/c1-5-8(17-11(2,3)4)14-6-7(12)9(15)13-10(14)16/h6,8H,5H2,1-4H3,(H,13,15,16)
InChIKeyXACXOFWLUSHABU-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.40
Rot. Bonds3

About 5-fluoro-1-[1-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine-2,4-dione

5-fluoro-1-[1-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine-2,4-dione (PubChem CID 121459566) has the molecular formula C11H17FN2O3 and a molecular weight of 244.27 g/mol. Its IUPAC name is 5-fluoro-1-[1-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[1-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine-2,4-dione
PubChem CID121459566
Molecular FormulaC11H17FN2O3
Molecular Weight244.27 g/mol
Exact Mass244.12
IUPAC Name5-fluoro-1-[1-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine-2,4-dione
SMILESCCC(OC(C)(C)C)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H17FN2O3/c1-5-8(17-11(2,3)4)14-6-7(12)9(15)13-10(14)16/h6,8H,5H2,1-4H3,(H,13,15,16)
InChIKeyXACXOFWLUSHABU-UHFFFAOYSA-N
XLogP1.40
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[1-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[1-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine-2,4-dione (CID 121459566) is 5-fluoro-1-[1-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[1-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[1-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine-2,4-dione is CCC(OC(C)(C)C)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-[1-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine-2,4-dione?
The InChIKey is XACXOFWLUSHABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3/c1-5-8(17-11(2,3)4)14-6-7(12)9(15)13-10(14)16/h6,8H,5H2,1-4H3,(H,13,15,16).
What are the key properties of 5-fluoro-1-[1-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine-2,4-dione?
5-fluoro-1-[1-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine-2,4-dione has a molecular weight of 244.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[1-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 121459566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).