1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde

C12H17N3O2 — CID 137008210

IUPAC1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
SMILESCCc1nc(N2CCCCC2C=O)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O2/c1-2-10-13-11(7-12(17)14-10)15-6-4-3-5-9(15)8-16/h7-9H,2-6H2,1H3,(H,13,14,17)
InChIKeyRLDVWOZRBAKAAS-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.89
Rot. Bonds3

About 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde

1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde (PubChem CID 137008210) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
PubChem CID137008210
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
SMILESCCc1nc(N2CCCCC2C=O)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O2/c1-2-10-13-11(7-12(17)14-10)15-6-4-3-5-9(15)8-16/h7-9H,2-6H2,1H3,(H,13,14,17)
InChIKeyRLDVWOZRBAKAAS-UHFFFAOYSA-N
XLogP0.89
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-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-(2-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973303
4-(2-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136973305
4-(2-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136973306
2-ethyl-4-[methyl-(4-oxocyclohexyl)amino]-1H-pyrimidin-6-one
CID 136973322
methyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
CID 136989702
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 136989780
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde
CID 136989781
ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
CID 137007743
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008208
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008209
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008212
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde
CID 137008219

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde (CID 137008210) is 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde is CCc1nc(N2CCCCC2C=O)cc(=O)[nH]1.
What is the InChIKey of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
The InChIKey is RLDVWOZRBAKAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-10-13-11(7-12(17)14-10)15-6-4-3-5-9(15)8-16/h7-9H,2-6H2,1H3,(H,13,14,17).
What are the key properties of 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde has a molecular weight of 235.29 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde is sourced from PubChem (CID 137008210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).