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

C11H15N3O2 — CID 137008228

IUPAC1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde
SMILESCc1nc(N2CCCC(C=O)C2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O2/c1-8-12-10(5-11(16)13-8)14-4-2-3-9(6-14)7-15/h5,7,9H,2-4,6H2,1H3,(H,12,13,16)
InChIKeyIZJUCRVSUFOLLZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.49
Rot. Bonds2

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

1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde (PubChem CID 137008228) 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-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde
PubChem CID137008228
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde
SMILESCc1nc(N2CCCC(C=O)C2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O2/c1-8-12-10(5-11(16)13-8)14-4-2-3-9(6-14)7-15/h5,7,9H,2-4,6H2,1H3,(H,12,13,16)
InChIKeyIZJUCRVSUFOLLZ-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
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-ethyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 139019818
4-hydroxy-2-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one;propanal
CID 153615477
N-[2-(4-Amino-6-hydroxypyrimidin-2-YL)ethyl]-1-methylpiperidine-3-carboxamide
CID 136662234
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
(3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methylpiperidine-3-carboxamide
CID 136829825
(3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methylpiperidine-3-carboxamide
CID 136829826
4-Hydroxy-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine
CID 136920466
4-(3,5-dimethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136957350
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxamide
CID 136957388

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde (CID 137008228) is 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde is Cc1nc(N2CCCC(C=O)C2)cc(=O)[nH]1.
What is the InChIKey of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde?
The InChIKey is IZJUCRVSUFOLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-12-10(5-11(16)13-8)14-4-2-3-9(6-14)7-15/h5,7,9H,2-4,6H2,1H3,(H,12,13,16).
What are the key properties of 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde?
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carbaldehyde has a molecular weight of 221.26 g/mol, XLogP of 0.49, 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-3-carbaldehyde is sourced from PubChem (CID 137008228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).