2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde

C11H14N2O2 — CID 10214467

IUPAC2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde
SMILESCc1nc2n(c(=O)c1CC=O)CCCC2
InChIInChI=1S/C11H14N2O2/c1-8-9(5-7-14)11(15)13-6-3-2-4-10(13)12-8/h7H,2-6H2,1H3
InChIKeyDOSSDJIYPFDJRO-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.63
Rot. Bonds2

About 2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde

2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde (PubChem CID 10214467) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde
PubChem CID10214467
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde
SMILESCc1nc2n(c(=O)c1CC=O)CCCC2
InChIInChI=1S/C11H14N2O2/c1-8-9(5-7-14)11(15)13-6-3-2-4-10(13)12-8/h7H,2-6H2,1H3
InChIKeyDOSSDJIYPFDJRO-UHFFFAOYSA-N
XLogP0.63
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.63
H-Bond Donors ≤ 50
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 2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde?
The IUPAC name of 2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde (CID 10214467) is 2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde.
What is the SMILES notation for 2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde?
The canonical SMILES for 2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde is Cc1nc2n(c(=O)c1CC=O)CCCC2.
What is the InChIKey of 2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde?
The InChIKey is DOSSDJIYPFDJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-9(5-7-14)11(15)13-6-3-2-4-10(13)12-8/h7H,2-6H2,1H3.
What are the key properties of 2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde?
2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde has a molecular weight of 206.24 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetaldehyde is sourced from PubChem (CID 10214467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).