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

C11H15N3O2 — CID 137008209

IUPAC1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
SMILESCc1nc(N2CCCCC2C=O)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O2/c1-8-12-10(6-11(16)13-8)14-5-3-2-4-9(14)7-15/h6-7,9H,2-5H2,1H3,(H,12,13,16)
InChIKeyFLSWXDIOJJBRTC-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.64
Rot. Bonds2

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

1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde (PubChem CID 137008209) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
PubChem CID137008209
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
SMILESCc1nc(N2CCCCC2C=O)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O2/c1-8-12-10(6-11(16)13-8)14-5-3-2-4-9(14)7-15/h6-7,9H,2-5H2,1H3,(H,12,13,16)
InChIKeyFLSWXDIOJJBRTC-UHFFFAOYSA-N
XLogP0.64
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.64
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-methyl-1H-pyrimidin-6-one
CID 136973305
4-(2-acetylpiperidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136973306
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-2-carbaldehyde
CID 137008208
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008210
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008212
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carbaldehyde
CID 137008218
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde
CID 137008228

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde (CID 137008209) is 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde is Cc1nc(N2CCCCC2C=O)cc(=O)[nH]1.
What is the InChIKey of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
The InChIKey is FLSWXDIOJJBRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-12-10(6-11(16)13-8)14-5-3-2-4-9(14)7-15/h6-7,9H,2-5H2,1H3,(H,12,13,16).
What are the key properties of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde?
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde has a molecular weight of 221.26 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde is sourced from PubChem (CID 137008209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).