2-[3-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-3-methoxypropyl]isoindole-1,3-dione

C16H14FN3O5 — CID 10521565

IUPAC2-[3-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-3-methoxypropyl]isoindole-1,3-dione
SMILESCOC(CCN1C(=O)c2ccccc2C1=O)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C16H14FN3O5/c1-25-12(20-15(23)11(17)8-18-16(20)24)6-7-19-13(21)9-4-2-3-5-10(9)14(19)22/h2-5,8,12H,6-7H2,1H3,(H,18,24)
InChIKeyAKPPNIGYDBAAPK-UHFFFAOYSA-N
MW347.30 g/mol
LogP0.51
Rot. Bonds5

About 2-[3-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-3-methoxypropyl]isoindole-1,3-dione

2-[3-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-3-methoxypropyl]isoindole-1,3-dione (PubChem CID 10521565) has the molecular formula C16H14FN3O5 and a molecular weight of 347.30 g/mol. Its IUPAC name is 2-[3-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-3-methoxypropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-3-methoxypropyl]isoindole-1,3-dione
PubChem CID10521565
Molecular FormulaC16H14FN3O5
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name2-[3-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-3-methoxypropyl]isoindole-1,3-dione
SMILESCOC(CCN1C(=O)c2ccccc2C1=O)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C16H14FN3O5/c1-25-12(20-15(23)11(17)8-18-16(20)24)6-7-19-13(21)9-4-2-3-5-10(9)14(19)22/h2-5,8,12H,6-7H2,1H3,(H,18,24)
InChIKeyAKPPNIGYDBAAPK-UHFFFAOYSA-N
XLogP0.51
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[3-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-3-methoxypropyl]isoindole-1,3-dione with MolForge

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Related Compounds

5-(2-chloro-3-fluorophenyl)-3-[(2S)-1-methoxypropan-2-yl]-1H-pyrimidine-2,4-dione
CID 121437299
2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione
CID 2041078
2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione
CID 821234
2-[2-(2,2-dimethoxyethylsulfanyl)ethyl]isoindole-1,3-dione
CID 174150019
4-(1,3-dioxoisoindol-2-yl)butan-2-yl methanesulfonate
CID 138695385
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(2-hydroperoxyethyl)isoindole-1,3-dione
CID 144780934
2-(2-propan-2-yloxyethyl)isoindole-1,3-dione
CID 58120400
2-[(4R)-4-bromohexyl]isoindole-1,3-dione
CID 129405384
2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 934440
2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 2230352
2-(2-aminoethyl)isoindole-1,3-dione;hydrochloride
CID 22063849

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-3-methoxypropyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-3-methoxypropyl]isoindole-1,3-dione (CID 10521565) is 2-[3-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-3-methoxypropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-3-methoxypropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-3-methoxypropyl]isoindole-1,3-dione is COC(CCN1C(=O)c2ccccc2C1=O)n1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of 2-[3-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-3-methoxypropyl]isoindole-1,3-dione?
The InChIKey is AKPPNIGYDBAAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O5/c1-25-12(20-15(23)11(17)8-18-16(20)24)6-7-19-13(21)9-4-2-3-5-10(9)14(19)22/h2-5,8,12H,6-7H2,1H3,(H,18,24).
What are the key properties of 2-[3-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-3-methoxypropyl]isoindole-1,3-dione?
2-[3-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-3-methoxypropyl]isoindole-1,3-dione has a molecular weight of 347.30 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-3-methoxypropyl]isoindole-1,3-dione is sourced from PubChem (CID 10521565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).