1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde

C12H17N3O3 — CID 113293059

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde
SMILESCOc1cc(OC)nc(N2CCCCC2C=O)n1
InChIInChI=1S/C12H17N3O3/c1-17-10-7-11(18-2)14-12(13-10)15-6-4-3-5-9(15)8-16/h7-9H,3-6H2,1-2H3
InChIKeyYCOXCIOCJKNKOJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.05
Rot. Bonds4

About 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde

1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde (PubChem CID 113293059) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde
PubChem CID113293059
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde
SMILESCOc1cc(OC)nc(N2CCCCC2C=O)n1
InChIInChI=1S/C12H17N3O3/c1-17-10-7-11(18-2)14-12(13-10)15-6-4-3-5-9(15)8-16/h7-9H,3-6H2,1-2H3
InChIKeyYCOXCIOCJKNKOJ-UHFFFAOYSA-N
XLogP1.05
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carbaldehyde
CID 62858844
2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
CID 115354718
1-(4,6-dimethoxypyrimidin-2-yl)piperidine-4-carbaldehyde
CID 115355577
1-(7-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
CID 106542379
2-[2-(2-chloropropyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine
CID 112748216
1-quinazolin-2-ylpiperidine-2-carbaldehyde
CID 114789784
1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde
CID 174971713
1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde
CID 62663428
(2S)-1-phenylpiperidine-2-carbaldehyde
CID 86336366
N-[[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]methyl]-2-methylpropan-2-amine
CID 115973799
1-(5-methoxyisoquinolin-1-yl)piperidine-2-carbaldehyde
CID 106542383
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008211

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde (CID 113293059) is 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde is COc1cc(OC)nc(N2CCCCC2C=O)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde?
The InChIKey is YCOXCIOCJKNKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-10-7-11(18-2)14-12(13-10)15-6-4-3-5-9(15)8-16/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde?
1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde has a molecular weight of 251.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde is sourced from PubChem (CID 113293059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).