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

C10H13N3O2 — CID 137008212

IUPAC1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C10H13N3O2/c14-6-8-3-1-2-4-13(8)9-5-10(15)12-7-11-9/h5-8H,1-4H2,(H,11,12,15)
InChIKeyLIHGCIKILQDRLK-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.33
Rot. Bonds2

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

1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde (PubChem CID 137008212) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
PubChem CID137008212
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C10H13N3O2/c14-6-8-3-1-2-4-13(8)9-5-10(15)12-7-11-9/h5-8H,1-4H2,(H,11,12,15)
InChIKeyLIHGCIKILQDRLK-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-acetylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973302
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008207
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-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008210
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008213
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008214
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008215

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde (CID 137008212) is 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde is O=CC1CCCCN1c1cc(=O)[nH]cn1.
What is the InChIKey of 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
The InChIKey is LIHGCIKILQDRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-6-8-3-1-2-4-13(8)9-5-10(15)12-7-11-9/h5-8H,1-4H2,(H,11,12,15).
What are the key properties of 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde has a molecular weight of 207.23 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde is sourced from PubChem (CID 137008212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).