4-hydroxy-5-piperidin-2-yl-1H-pyrimidin-6-one

C9H13N3O2 — CID 82400440

IUPAC4-hydroxy-5-piperidin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1C1CCCCN1
InChIInChI=1S/C9H13N3O2/c13-8-7(9(14)12-5-11-8)6-3-1-2-4-10-6/h5-6,10H,1-4H2,(H2,11,12,13,14)
InChIKeyJTONKMCMCPTNCE-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.29
Rot. Bonds1

About 4-hydroxy-5-piperidin-2-yl-1H-pyrimidin-6-one

4-hydroxy-5-piperidin-2-yl-1H-pyrimidin-6-one (PubChem CID 82400440) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-hydroxy-5-piperidin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-piperidin-2-yl-1H-pyrimidin-6-one
PubChem CID82400440
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-hydroxy-5-piperidin-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1C1CCCCN1
InChIInChI=1S/C9H13N3O2/c13-8-7(9(14)12-5-11-8)6-3-1-2-4-10-6/h5-6,10H,1-4H2,(H2,11,12,13,14)
InChIKeyJTONKMCMCPTNCE-UHFFFAOYSA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-methyl-5-piperidin-2-yl-1H-pyrimidin-6-one
CID 82395111
5-piperidin-2-yl-1H-pyrimidin-6-one
CID 82409514
4-methyl-5-piperidin-2-yl-1H-pyrimidin-6-one
CID 136310374
5-(4,6-Dihydroxypyrimidin-5-yl)pyrrolidin-2-one
CID 155971339

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-piperidin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-piperidin-2-yl-1H-pyrimidin-6-one (CID 82400440) is 4-hydroxy-5-piperidin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-piperidin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-piperidin-2-yl-1H-pyrimidin-6-one is O=c1[nH]cnc(O)c1C1CCCCN1.
What is the InChIKey of 4-hydroxy-5-piperidin-2-yl-1H-pyrimidin-6-one?
The InChIKey is JTONKMCMCPTNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8-7(9(14)12-5-11-8)6-3-1-2-4-10-6/h5-6,10H,1-4H2,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-5-piperidin-2-yl-1H-pyrimidin-6-one?
4-hydroxy-5-piperidin-2-yl-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-piperidin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 82400440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).