2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

C14H16N4O2 — CID 799817

IUPAC2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCN1CCN(c2nc3ccccn3c(=O)c2C=O)CC1
InChIInChI=1S/C14H16N4O2/c1-16-6-8-17(9-7-16)13-11(10-19)14(20)18-5-3-2-4-12(18)15-13/h2-5,10H,6-9H2,1H3
InChIKeyZYEGEPJJCWHUAE-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.26
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 799817) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID799817
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCN1CCN(c2nc3ccccn3c(=O)c2C=O)CC1
InChIInChI=1S/C14H16N4O2/c1-16-6-8-17(9-7-16)13-11(10-19)14(20)18-5-3-2-4-12(18)15-13/h2-5,10H,6-9H2,1H3
InChIKeyZYEGEPJJCWHUAE-UHFFFAOYSA-N
XLogP0.26
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 799817) is 2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is CN1CCN(c2nc3ccccn3c(=O)c2C=O)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is ZYEGEPJJCWHUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-16-6-8-17(9-7-16)13-11(10-19)14(20)18-5-3-2-4-12(18)15-13/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 272.31 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 799817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).