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

C14H17ClN4O2 — CID 24746826

IUPAC2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde;hydrochloride
SMILESCN1CCN(c2nc3ccccn3c(=O)c2C=O)CC1.Cl
InChIInChI=1S/C14H16N4O2.ClH/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;1H
InChIKeyZDVVLPRJHKHYJI-UHFFFAOYSA-N
MW308.77 g/mol
LogP0.68
Rot. Bonds2

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

2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde;hydrochloride (PubChem CID 24746826) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde;hydrochloride
PubChem CID24746826
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde;hydrochloride
SMILESCN1CCN(c2nc3ccccn3c(=O)c2C=O)CC1.Cl
InChIInChI=1S/C14H16N4O2.ClH/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;1H
InChIKeyZDVVLPRJHKHYJI-UHFFFAOYSA-N
XLogP0.68
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde;hydrochloride?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde;hydrochloride (CID 24746826) is 2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde;hydrochloride.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde;hydrochloride?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde;hydrochloride is CN1CCN(c2nc3ccccn3c(=O)c2C=O)CC1.Cl.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde;hydrochloride?
The InChIKey is ZDVVLPRJHKHYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2.ClH/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;1H.
What are the key properties of 2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde;hydrochloride?
2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde;hydrochloride has a molecular weight of 308.77 g/mol, XLogP of 0.68, 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;hydrochloride is sourced from PubChem (CID 24746826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).