4-hydroxy-5-piperidin-1-yl-1H-pyrimidin-6-one

C9H13N3O2 — CID 172750722

IUPAC4-hydroxy-5-piperidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1N1CCCCC1
InChIInChI=1S/C9H13N3O2/c13-8-7(9(14)11-6-10-8)12-4-2-1-3-5-12/h6H,1-5H2,(H2,10,11,13,14)
InChIKeyKIHQJEUDWHSNHD-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.47
Rot. Bonds1

About 4-hydroxy-5-piperidin-1-yl-1H-pyrimidin-6-one

4-hydroxy-5-piperidin-1-yl-1H-pyrimidin-6-one (PubChem CID 172750722) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-hydroxy-5-piperidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-piperidin-1-yl-1H-pyrimidin-6-one
PubChem CID172750722
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-hydroxy-5-piperidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1N1CCCCC1
InChIInChI=1S/C9H13N3O2/c13-8-7(9(14)11-6-10-8)12-4-2-1-3-5-12/h6H,1-5H2,(H2,10,11,13,14)
InChIKeyKIHQJEUDWHSNHD-UHFFFAOYSA-N
XLogP0.47
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-piperidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-piperidin-1-yl-1H-pyrimidin-6-one (CID 172750722) is 4-hydroxy-5-piperidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-piperidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-piperidin-1-yl-1H-pyrimidin-6-one is O=c1[nH]cnc(O)c1N1CCCCC1.
What is the InChIKey of 4-hydroxy-5-piperidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is KIHQJEUDWHSNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8-7(9(14)11-6-10-8)12-4-2-1-3-5-12/h6H,1-5H2,(H2,10,11,13,14).
What are the key properties of 4-hydroxy-5-piperidin-1-yl-1H-pyrimidin-6-one?
4-hydroxy-5-piperidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-piperidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 172750722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).