1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde

C13H17N3O2 — CID 137008227

IUPAC1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C13H17N3O2/c17-8-9-2-1-5-16(7-9)11-6-12(18)15-13(14-11)10-3-4-10/h6,8-10H,1-5,7H2,(H,14,15,18)
InChIKeyHHYFILCXDCRQDW-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.06
Rot. Bonds3

About 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde

1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde (PubChem CID 137008227) 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-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde
PubChem CID137008227
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C13H17N3O2/c17-8-9-2-1-5-16(7-9)11-6-12(18)15-13(14-11)10-3-4-10/h6,8-10H,1-5,7H2,(H,14,15,18)
InChIKeyHHYFILCXDCRQDW-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
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

N-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136687971
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687973
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687976
N-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136687977
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136957388
2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
CID 136957722
2-cyclopropyl-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973283
4-(3-acetylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973285
4-(3-acetylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136973287
4-(3-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136973288
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde (CID 137008227) is 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde is O=CC1CCCN(c2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde?
The InChIKey is HHYFILCXDCRQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-8-9-2-1-5-16(7-9)11-6-12(18)15-13(14-11)10-3-4-10/h6,8-10H,1-5,7H2,(H,14,15,18).
What are the key properties of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde?
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde has a molecular weight of 247.30 g/mol, XLogP of 1.06, 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-3-carbaldehyde is sourced from PubChem (CID 137008227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).