6-(4-hydroxypiperidin-1-yl)-1H-pyrimidine-2,4-dione

C9H13N3O3 — CID 121205395

IUPAC6-(4-hydroxypiperidin-1-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCC(O)CC2)[nH]c(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c13-6-1-3-12(4-2-6)7-5-8(14)11-9(15)10-7/h5-6,13H,1-4H2,(H2,10,11,14,15)
InChIKeyRAFZMTJAWACZDT-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.98
Rot. Bonds1

About 6-(4-hydroxypiperidin-1-yl)-1H-pyrimidine-2,4-dione

6-(4-hydroxypiperidin-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 121205395) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-(4-hydroxypiperidin-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-hydroxypiperidin-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID121205395
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name6-(4-hydroxypiperidin-1-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCC(O)CC2)[nH]c(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c13-6-1-3-12(4-2-6)7-5-8(14)11-9(15)10-7/h5-6,13H,1-4H2,(H2,10,11,14,15)
InChIKeyRAFZMTJAWACZDT-UHFFFAOYSA-N
XLogP-0.98
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxypiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-hydroxypiperidin-1-yl)-1H-pyrimidine-2,4-dione (CID 121205395) is 6-(4-hydroxypiperidin-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-hydroxypiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-hydroxypiperidin-1-yl)-1H-pyrimidine-2,4-dione is O=c1cc(N2CCC(O)CC2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(4-hydroxypiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is RAFZMTJAWACZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-6-1-3-12(4-2-6)7-5-8(14)11-9(15)10-7/h5-6,13H,1-4H2,(H2,10,11,14,15).
What are the key properties of 6-(4-hydroxypiperidin-1-yl)-1H-pyrimidine-2,4-dione?
6-(4-hydroxypiperidin-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 211.22 g/mol, XLogP of -0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxypiperidin-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 121205395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).