1-(3,3-diethoxypropyl)-5-fluoropyrimidine-2,4-dione

C11H17FN2O4 — CID 63629471

IUPAC1-(3,3-diethoxypropyl)-5-fluoropyrimidine-2,4-dione
SMILESCCOC(CCn1cc(F)c(=O)[nH]c1=O)OCC
InChIInChI=1S/C11H17FN2O4/c1-3-17-9(18-4-2)5-6-14-7-8(12)10(15)13-11(14)16/h7,9H,3-6H2,1-2H3,(H,13,15,16)
InChIKeyCLBYUUDHQYSTSE-UHFFFAOYSA-N
MW260.26 g/mol
LogP0.46
Rot. Bonds7

About 1-(3,3-diethoxypropyl)-5-fluoropyrimidine-2,4-dione

1-(3,3-diethoxypropyl)-5-fluoropyrimidine-2,4-dione (PubChem CID 63629471) has the molecular formula C11H17FN2O4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-(3,3-diethoxypropyl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3,3-diethoxypropyl)-5-fluoropyrimidine-2,4-dione
PubChem CID63629471
Molecular FormulaC11H17FN2O4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name1-(3,3-diethoxypropyl)-5-fluoropyrimidine-2,4-dione
SMILESCCOC(CCn1cc(F)c(=O)[nH]c1=O)OCC
InChIInChI=1S/C11H17FN2O4/c1-3-17-9(18-4-2)5-6-14-7-8(12)10(15)13-11(14)16/h7,9H,3-6H2,1-2H3,(H,13,15,16)
InChIKeyCLBYUUDHQYSTSE-UHFFFAOYSA-N
XLogP0.46
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-ethoxyethyl]-5-fluoropyrimidine-2,4-dione
CID 712428
ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate
CID 14551426
1-(3,3-diethoxypropyl)-3-ethylimidazol-2-one
CID 80580890
1-(3,3-diethoxypropyl)-3-propylimidazol-2-one
CID 80581244
5-fluoro-1-(2-hydroxyoctyl)pyrimidine-2,4-dione
CID 11322863
1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione
CID 3010090
1-[4-(tert-butylamino)butyl]-5-fluoropyrimidine-2,4-dione
CID 55220321
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetonitrile
CID 10877537
1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione
CID 70515654
4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanethioamide
CID 63559003
methyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 637881
5-fluoro-1-[3-(4-fluorophenyl)-3-oxopropyl]pyrimidine-2,4-dione
CID 63557987

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxypropyl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(3,3-diethoxypropyl)-5-fluoropyrimidine-2,4-dione (CID 63629471) is 1-(3,3-diethoxypropyl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(3,3-diethoxypropyl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(3,3-diethoxypropyl)-5-fluoropyrimidine-2,4-dione is CCOC(CCn1cc(F)c(=O)[nH]c1=O)OCC.
What is the InChIKey of 1-(3,3-diethoxypropyl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is CLBYUUDHQYSTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O4/c1-3-17-9(18-4-2)5-6-14-7-8(12)10(15)13-11(14)16/h7,9H,3-6H2,1-2H3,(H,13,15,16).
What are the key properties of 1-(3,3-diethoxypropyl)-5-fluoropyrimidine-2,4-dione?
1-(3,3-diethoxypropyl)-5-fluoropyrimidine-2,4-dione has a molecular weight of 260.26 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxypropyl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 63629471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).