4-hydroxy-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde

C10H13N3O3 — CID 135636164

IUPAC4-hydroxy-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde
SMILESO=Cc1c(O)nc(N2CCCCC2)[nH]c1=O
InChIInChI=1S/C10H13N3O3/c14-6-7-8(15)11-10(12-9(7)16)13-4-2-1-3-5-13/h6H,1-5H2,(H2,11,12,15,16)
InChIKeyIHUAUWFPKUZLNT-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.28
Rot. Bonds2

About 4-hydroxy-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde

4-hydroxy-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde (PubChem CID 135636164) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-hydroxy-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde
PubChem CID135636164
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-hydroxy-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde
SMILESO=Cc1c(O)nc(N2CCCCC2)[nH]c1=O
InChIInChI=1S/C10H13N3O3/c14-6-7-8(15)11-10(12-9(7)16)13-4-2-1-3-5-13/h6H,1-5H2,(H2,11,12,15,16)
InChIKeyIHUAUWFPKUZLNT-UHFFFAOYSA-N
XLogP0.28
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde?
The IUPAC name of 4-hydroxy-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde (CID 135636164) is 4-hydroxy-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-hydroxy-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-hydroxy-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde is O=Cc1c(O)nc(N2CCCCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde?
The InChIKey is IHUAUWFPKUZLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-6-7-8(15)11-10(12-9(7)16)13-4-2-1-3-5-13/h6H,1-5H2,(H2,11,12,15,16).
What are the key properties of 4-hydroxy-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde?
4-hydroxy-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde has a molecular weight of 223.23 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde is sourced from PubChem (CID 135636164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).