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

C13H17N3O2 — CID 136989780

IUPAC1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H17N3O2/c17-8-10-3-1-2-6-16(10)11-7-12(18)15-13(14-11)9-4-5-9/h7-10H,1-6H2,(H,14,15,18)
InChIKeyCGPNRCSZBVNBBB-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.21
Rot. Bonds3

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

1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde (PubChem CID 136989780) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
PubChem CID136989780
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H17N3O2/c17-8-10-3-1-2-6-16(10)11-7-12(18)15-13(14-11)9-4-5-9/h7-10H,1-6H2,(H,14,15,18)
InChIKeyCGPNRCSZBVNBBB-UHFFFAOYSA-N
XLogP1.21
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.21
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)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973303
4-(2-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136973306
N-[2-(4-amino-6-hydroxypyrimidin-2-yl)ethyl]-1-(cyclopropylcarbonyl)piperidine-2-carboxamide
CID 136998434
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-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde
CID 137008217
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde
CID 137008227
4-(2-acetylpiperidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 137016042
(2R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide
CID 137137370
(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide
CID 137137371
4-Hydroxy-2-cyclopropyl-6-(2-methylpiperidin-1-yl)pyrimidine
CID 137258814

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde (CID 136989780) is 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde is O=CC1CCCCN1c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
The InChIKey is CGPNRCSZBVNBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-8-10-3-1-2-6-16(10)11-7-12(18)15-13(14-11)9-4-5-9/h7-10H,1-6H2,(H,14,15,18).
What are the key properties of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde has a molecular weight of 247.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde is sourced from PubChem (CID 136989780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).