(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl propanoate

C8H9FN2O4 — CID 10036238

IUPAC(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl propanoate
SMILESCCC(=O)OCn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C8H9FN2O4/c1-2-6(12)15-4-11-7(13)5(9)3-10-8(11)14/h3H,2,4H2,1H3,(H,10,14)
InChIKeyBRSJKDUSGHPJJY-UHFFFAOYSA-N
MW216.17 g/mol
LogP-0.41
Rot. Bonds3

About (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl propanoate

(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl propanoate (PubChem CID 10036238) has the molecular formula C8H9FN2O4 and a molecular weight of 216.17 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl propanoate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl propanoate
PubChem CID10036238
Molecular FormulaC8H9FN2O4
Molecular Weight216.17 g/mol
Exact Mass216.05
IUPAC Name(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl propanoate
SMILESCCC(=O)OCn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C8H9FN2O4/c1-2-6(12)15-4-11-7(13)5(9)3-10-8(11)14/h3H,2,4H2,1H3,(H,10,14)
InChIKeyBRSJKDUSGHPJJY-UHFFFAOYSA-N
XLogP-0.41
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl propanoate?
The IUPAC name of (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl propanoate (CID 10036238) is (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl propanoate.
What is the SMILES notation for (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl propanoate?
The canonical SMILES for (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl propanoate is CCC(=O)OCn1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl propanoate?
The InChIKey is BRSJKDUSGHPJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O4/c1-2-6(12)15-4-11-7(13)5(9)3-10-8(11)14/h3H,2,4H2,1H3,(H,10,14).
What are the key properties of (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl propanoate?
(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl propanoate has a molecular weight of 216.17 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)methyl propanoate is sourced from PubChem (CID 10036238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).