4-methyl-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde

C11H15N3O2 — CID 135438735

IUPAC4-methyl-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde
SMILESCc1nc(N2CCCCC2)[nH]c(=O)c1C=O
InChIInChI=1S/C11H15N3O2/c1-8-9(7-15)10(16)13-11(12-8)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,12,13,16)
InChIKeyDUSWZCFKWDXOKA-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.88
Rot. Bonds2

About 4-methyl-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde

4-methyl-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde (PubChem CID 135438735) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-methyl-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-methyl-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde
PubChem CID135438735
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-methyl-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde
SMILESCc1nc(N2CCCCC2)[nH]c(=O)c1C=O
InChIInChI=1S/C11H15N3O2/c1-8-9(7-15)10(16)13-11(12-8)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,12,13,16)
InChIKeyDUSWZCFKWDXOKA-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde?
The IUPAC name of 4-methyl-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde (CID 135438735) is 4-methyl-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-methyl-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-methyl-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde is Cc1nc(N2CCCCC2)[nH]c(=O)c1C=O.
What is the InChIKey of 4-methyl-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde?
The InChIKey is DUSWZCFKWDXOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-9(7-15)10(16)13-11(12-8)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,12,13,16).
What are the key properties of 4-methyl-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde?
4-methyl-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde has a molecular weight of 221.26 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbaldehyde is sourced from PubChem (CID 135438735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).