5-fluoro-1-(piperidin-3-ylmethyl)pyrimidine-2,4-dione

C10H14FN3O2 — CID 63557590

IUPAC5-fluoro-1-(piperidin-3-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC2CCCNC2)cc1F
InChIInChI=1S/C10H14FN3O2/c11-8-6-14(10(16)13-9(8)15)5-7-2-1-3-12-4-7/h6-7,12H,1-5H2,(H,13,15,16)
InChIKeyMAVYZGYMJOWOMN-UHFFFAOYSA-N
MW227.24 g/mol
LogP-0.32
Rot. Bonds2

About 5-fluoro-1-(piperidin-3-ylmethyl)pyrimidine-2,4-dione

5-fluoro-1-(piperidin-3-ylmethyl)pyrimidine-2,4-dione (PubChem CID 63557590) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is 5-fluoro-1-(piperidin-3-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(piperidin-3-ylmethyl)pyrimidine-2,4-dione
PubChem CID63557590
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name5-fluoro-1-(piperidin-3-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC2CCCNC2)cc1F
InChIInChI=1S/C10H14FN3O2/c11-8-6-14(10(16)13-9(8)15)5-7-2-1-3-12-4-7/h6-7,12H,1-5H2,(H,13,15,16)
InChIKeyMAVYZGYMJOWOMN-UHFFFAOYSA-N
XLogP-0.32
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclohexylethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 10636696
N-(3-cyclohexylpropyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 13231115
N-(4-cyclohexylbutyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 177638731
i-Hexylcarbamoyl-5-fluorouracil
CID 68650562
N-(cyclohexylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 10730672
5-fluoro-3-[(1-oxidopiperidin-1-ium-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 59149431
5-Fluoro-1-[(1-oxidopiperidin-1-ium-1-yl)methyl]pyrimidine-2,4-dione
CID 59149442
5-fluoro-3-[hydroxy(piperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 68541518
5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide
CID 68650560
5-Fluoro-1-(piperidine-1-carbonyl)pyrimidine-2,4-dione
CID 70630603
5-fluoro-3-(2-methylbutyl)-1H-pyrimidine-2,4-dione
CID 170533618
5-(piperidin-1-ylmethyl)pyrimidine-2,4(1H,3H)-dione
CID 642681

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(piperidin-3-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(piperidin-3-ylmethyl)pyrimidine-2,4-dione (CID 63557590) is 5-fluoro-1-(piperidin-3-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(piperidin-3-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(piperidin-3-ylmethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CC2CCCNC2)cc1F.
What is the InChIKey of 5-fluoro-1-(piperidin-3-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is MAVYZGYMJOWOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c11-8-6-14(10(16)13-9(8)15)5-7-2-1-3-12-4-7/h6-7,12H,1-5H2,(H,13,15,16).
What are the key properties of 5-fluoro-1-(piperidin-3-ylmethyl)pyrimidine-2,4-dione?
5-fluoro-1-(piperidin-3-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 227.24 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(piperidin-3-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63557590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).