1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde

C10H13N3O2 — CID 137008231

IUPAC1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H13N3O2/c14-6-8-2-1-3-13(5-8)9-4-10(15)12-7-11-9/h4,6-8H,1-3,5H2,(H,11,12,15)
InChIKeyIHUVKBSBWRJPKC-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.19
Rot. Bonds2

About 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde

1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde (PubChem CID 137008231) 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-3-carbaldehyde.

Molecular Properties

Compound Name1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde
PubChem CID137008231
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H13N3O2/c14-6-8-2-1-3-13(5-8)9-4-10(15)12-7-11-9/h4,6-8H,1-3,5H2,(H,11,12,15)
InChIKeyIHUVKBSBWRJPKC-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
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-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136687975
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 136957332
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136957390
4-(3-acetylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973284
N-(2-aminoethyl)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136978009
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde
CID 137008221
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde
CID 137008225
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde
CID 137008226
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde
CID 137008227
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde
CID 137008228
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde
CID 137008229

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde (CID 137008231) is 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde is O=CC1CCCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde?
The InChIKey is IHUVKBSBWRJPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-6-8-2-1-3-13(5-8)9-4-10(15)12-7-11-9/h4,6-8H,1-3,5H2,(H,11,12,15).
What are the key properties of 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde?
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde has a molecular weight of 207.23 g/mol, XLogP of 0.19, 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-3-carbaldehyde is sourced from PubChem (CID 137008231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).