5-fluoro-1-(piperidine-1-carbonyl)pyrimidine-2,4-dione

C10H12FN3O3 — CID 70630603

IUPAC5-fluoro-1-(piperidine-1-carbonyl)pyrimidine-2,4-dione
SMILESO=C(N1CCCCC1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H12FN3O3/c11-7-6-14(9(16)12-8(7)15)10(17)13-4-2-1-3-5-13/h6H,1-5H2,(H,12,15,16)
InChIKeyFCOMQMSDXKPHEH-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.13
Rot. Bonds

About 5-fluoro-1-(piperidine-1-carbonyl)pyrimidine-2,4-dione

5-fluoro-1-(piperidine-1-carbonyl)pyrimidine-2,4-dione (PubChem CID 70630603) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 5-fluoro-1-(piperidine-1-carbonyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(piperidine-1-carbonyl)pyrimidine-2,4-dione
PubChem CID70630603
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name5-fluoro-1-(piperidine-1-carbonyl)pyrimidine-2,4-dione
SMILESO=C(N1CCCCC1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H12FN3O3/c11-7-6-14(9(16)12-8(7)15)10(17)13-4-2-1-3-5-13/h6H,1-5H2,(H,12,15,16)
InChIKeyFCOMQMSDXKPHEH-UHFFFAOYSA-N
XLogP0.13
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Carmofur
CID 2577
5-fluoro-N-hexyl-3-methyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654966
3-ethyl-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654968
3-ethyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione
CID 3235577
3-methyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione
CID 5310262
1-Cyclopentyl-5-fluoropyrimidine-2,4-dione
CID 10352697
1-(3-Piperidin-1-ylpropyl)pyrimidine-2,4-dione
CID 118713499
1-Valeryl-5-fluorouracil
CID 15228502
Hexylcarbamoylfluorouracil
CID 69396265
5-Fluoro-1-hexylpyrimidine-2,4-dione
CID 69888564
5-Fluoro-1,3-dipentylpyrimidine-2,4(1H,3H)-dione
CID 15579796
1-Butylcarbamoyl-5-fluorouracil
CID 116542

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(piperidine-1-carbonyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(piperidine-1-carbonyl)pyrimidine-2,4-dione (CID 70630603) is 5-fluoro-1-(piperidine-1-carbonyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(piperidine-1-carbonyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(piperidine-1-carbonyl)pyrimidine-2,4-dione is O=C(N1CCCCC1)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-(piperidine-1-carbonyl)pyrimidine-2,4-dione?
The InChIKey is FCOMQMSDXKPHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c11-7-6-14(9(16)12-8(7)15)10(17)13-4-2-1-3-5-13/h6H,1-5H2,(H,12,15,16).
What are the key properties of 5-fluoro-1-(piperidine-1-carbonyl)pyrimidine-2,4-dione?
5-fluoro-1-(piperidine-1-carbonyl)pyrimidine-2,4-dione has a molecular weight of 241.22 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(piperidine-1-carbonyl)pyrimidine-2,4-dione is sourced from PubChem (CID 70630603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).