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

C10H13FN2O4 — CID 121459595

IUPAC2-methylpropyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SMILESCC(C)COC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O4/c1-6(2)5-17-8(14)4-13-3-7(11)9(15)12-10(13)16/h3,6H,4-5H2,1-2H3,(H,12,15,16)
InChIKeyQMLOPUVBKWHXFD-UHFFFAOYSA-N
MW244.22 g/mol
LogP-0.13
Rot. Bonds4

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

2-methylpropyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 121459595) has the molecular formula C10H13FN2O4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-methylpropyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
PubChem CID121459595
Molecular FormulaC10H13FN2O4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name2-methylpropyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SMILESCC(C)COC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O4/c1-6(2)5-17-8(14)4-13-3-7(11)9(15)12-10(13)16/h3,6H,4-5H2,1-2H3,(H,12,15,16)
InChIKeyQMLOPUVBKWHXFD-UHFFFAOYSA-N
XLogP-0.13
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 2822103
Ethyl 2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
CID 746586
2-[(5-fluoro-2,4-dioxo-pyrimidin-1-yl)methoxy]ethyl Acetate
CID 4443484
Glycine, N-((1,1-dimethylethoxy)carbonyl)-, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester
CID 3073493
1(2H)-pyrimidineacetic acid, 5-fluoro-3,4-dihydro-2,4-dioxo-, methyl ester
CID 637881
Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 565853
ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate
CID 745125
1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, pentyl ester
CID 3075295
1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester
CID 3075296
ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 14118332
Zinc02494940
CID 2058214
Methyl 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 3757668

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of 2-methylpropyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate (CID 121459595) is 2-methylpropyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for 2-methylpropyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for 2-methylpropyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate is CC(C)COC(=O)Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 2-methylpropyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is QMLOPUVBKWHXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4/c1-6(2)5-17-8(14)4-13-3-7(11)9(15)12-10(13)16/h3,6H,4-5H2,1-2H3,(H,12,15,16).
What are the key properties of 2-methylpropyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
2-methylpropyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 244.22 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 121459595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).