5-fluoro-3-[hydroxy(piperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione

C10H14FN3O3 — CID 68541518

IUPAC5-fluoro-3-[hydroxy(piperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(F)c(=O)n1C(O)N1CCCCC1
InChIInChI=1S/C10H14FN3O3/c11-7-6-12-9(16)14(8(7)15)10(17)13-4-2-1-3-5-13/h6,10,17H,1-5H2,(H,12,16)
InChIKeyBKDGIVLFGKJNIC-UHFFFAOYSA-N
MW243.24 g/mol
LogP-0.39
Rot. Bonds2

About 5-fluoro-3-[hydroxy(piperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione

5-fluoro-3-[hydroxy(piperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 68541518) has the molecular formula C10H14FN3O3 and a molecular weight of 243.24 g/mol. Its IUPAC name is 5-fluoro-3-[hydroxy(piperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-[hydroxy(piperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID68541518
Molecular FormulaC10H14FN3O3
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC Name5-fluoro-3-[hydroxy(piperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(F)c(=O)n1C(O)N1CCCCC1
InChIInChI=1S/C10H14FN3O3/c11-7-6-12-9(16)14(8(7)15)10(17)13-4-2-1-3-5-13/h6,10,17H,1-5H2,(H,12,16)
InChIKeyBKDGIVLFGKJNIC-UHFFFAOYSA-N
XLogP-0.39
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[hydroxy(piperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-[hydroxy(piperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione (CID 68541518) is 5-fluoro-3-[hydroxy(piperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-[hydroxy(piperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-[hydroxy(piperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(F)c(=O)n1C(O)N1CCCCC1.
What is the InChIKey of 5-fluoro-3-[hydroxy(piperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is BKDGIVLFGKJNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3/c11-7-6-12-9(16)14(8(7)15)10(17)13-4-2-1-3-5-13/h6,10,17H,1-5H2,(H,12,16).
What are the key properties of 5-fluoro-3-[hydroxy(piperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione?
5-fluoro-3-[hydroxy(piperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 243.24 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[hydroxy(piperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 68541518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).