(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(methylamino)acetate

C8H10FN3O4 — CID 129181776

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(methylamino)acetate
SMILESCNCC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H10FN3O4/c1-10-2-6(13)16-4-12-3-5(9)7(14)11-8(12)15/h3,10H,2,4H2,1H3,(H,11,14,15)
InChIKeyIQLQZBIBSKZDCR-UHFFFAOYSA-N
MW231.18 g/mol
LogP-1.60
Rot. Bonds4

About (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(methylamino)acetate

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(methylamino)acetate (PubChem CID 129181776) has the molecular formula C8H10FN3O4 and a molecular weight of 231.18 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(methylamino)acetate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(methylamino)acetate
PubChem CID129181776
Molecular FormulaC8H10FN3O4
Molecular Weight231.18 g/mol
Exact Mass231.07
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(methylamino)acetate
SMILESCNCC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H10FN3O4/c1-10-2-6(13)16-4-12-3-5(9)7(14)11-8(12)15/h3,10H,2,4H2,1H3,(H,11,14,15)
InChIKeyIQLQZBIBSKZDCR-UHFFFAOYSA-N
XLogP-1.60
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(methylamino)acetate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(methylamino)acetate (CID 129181776) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(methylamino)acetate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(methylamino)acetate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(methylamino)acetate is CNCC(=O)OCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(methylamino)acetate?
The InChIKey is IQLQZBIBSKZDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O4/c1-10-2-6(13)16-4-12-3-5(9)7(14)11-8(12)15/h3,10H,2,4H2,1H3,(H,11,14,15).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(methylamino)acetate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(methylamino)acetate has a molecular weight of 231.18 g/mol, XLogP of -1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(methylamino)acetate is sourced from PubChem (CID 129181776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).