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

C10H13N3O2 — CID 136679113

IUPAC6-oxo-4-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde
SMILESO=Cc1c(N2CCCCC2)nc[nH]c1=O
InChIInChI=1S/C10H13N3O2/c14-6-8-9(11-7-12-10(8)15)13-4-2-1-3-5-13/h6-7H,1-5H2,(H,11,12,15)
InChIKeyKICHOKLDUFNGGX-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.57
Rot. Bonds2

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

6-oxo-4-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde (PubChem CID 136679113) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-oxo-4-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name6-oxo-4-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde
PubChem CID136679113
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name6-oxo-4-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde
SMILESO=Cc1c(N2CCCCC2)nc[nH]c1=O
InChIInChI=1S/C10H13N3O2/c14-6-8-9(11-7-12-10(8)15)13-4-2-1-3-5-13/h6-7H,1-5H2,(H,11,12,15)
InChIKeyKICHOKLDUFNGGX-UHFFFAOYSA-N
XLogP0.57
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-oxo-4-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Hydroxy-6-methyl-2-piperidin-1-yl-pyrimidine-5-carbaldehyde
CID 135438735
4-Amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde
CID 54613760
4-(Morpholin-4-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde
CID 136024588
5-methyl-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 173527972
8-Oxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-9-carbaldehyde
CID 82409745
1,6-Dihydro-4-hydroxy-6-oxo-2-(1-piperidinyl)-5-pyrimidinecarboxaldehyde
CID 135636164
4-amino-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde
CID 136261183
4-(diethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde
CID 136679114
4-(4-methylpiperazin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde
CID 136679115
4-(4-methylpiperidin-1-yl)-6-oxo-1H-pyrimidine-5-carbaldehyde
CID 136679116
2-methylsulfanyl-6-oxo-4-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde
CID 136679120
6-oxo-4-pyrrolidin-1-yl-1H-pyrimidine-5-carbaldehyde
CID 136864167

Frequently Asked Questions

What is the IUPAC name of 6-oxo-4-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde?
The IUPAC name of 6-oxo-4-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde (CID 136679113) is 6-oxo-4-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde.
What is the SMILES notation for 6-oxo-4-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde?
The canonical SMILES for 6-oxo-4-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde is O=Cc1c(N2CCCCC2)nc[nH]c1=O.
What is the InChIKey of 6-oxo-4-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde?
The InChIKey is KICHOKLDUFNGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-6-8-9(11-7-12-10(8)15)13-4-2-1-3-5-13/h6-7H,1-5H2,(H,11,12,15).
What are the key properties of 6-oxo-4-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde?
6-oxo-4-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde has a molecular weight of 207.23 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-4-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde is sourced from PubChem (CID 136679113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).