4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one

C9H13N3O2 — CID 63554635

IUPAC4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(C2CCCNC2)[nH]1
InChIInChI=1S/C9H13N3O2/c13-7-4-8(14)12-9(11-7)6-2-1-3-10-5-6/h4,6,10H,1-3,5H2,(H2,11,12,13,14)
InChIKeyRAHCGLKCAPGXBT-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.06
Rot. Bonds1

About 4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one

4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one (PubChem CID 63554635) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
PubChem CID63554635
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(C2CCCNC2)[nH]1
InChIInChI=1S/C9H13N3O2/c13-7-4-8(14)12-9(11-7)6-2-1-3-10-5-6/h4,6,10H,1-3,5H2,(H2,11,12,13,14)
InChIKeyRAHCGLKCAPGXBT-UHFFFAOYSA-N
XLogP-0.06
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one (CID 63554635) is 4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one is O=c1cc(O)nc(C2CCCNC2)[nH]1.
What is the InChIKey of 4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one?
The InChIKey is RAHCGLKCAPGXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-7-4-8(14)12-9(11-7)6-2-1-3-10-5-6/h4,6,10H,1-3,5H2,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one?
4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.06, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63554635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).