8-(1-piperazin-1-ylethyl)-2H-pyrido[1,2-a]pyrimidine

C14H20N4 — CID 170048765

IUPAC8-(1-piperazin-1-ylethyl)-2H-pyrido[1,2-a]pyrimidine
SMILESCC(C1=CC2=NCC=CN2C=C1)N1CCNCC1
InChIInChI=1S/C14H20N4/c1-12(17-9-5-15-6-10-17)13-3-8-18-7-2-4-16-14(18)11-13/h2-3,7-8,11-12,15H,4-6,9-10H2,1H3
InChIKeyGQYUVMJOVZFESK-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.96
Rot. Bonds2

About 8-(1-piperazin-1-ylethyl)-2H-pyrido[1,2-a]pyrimidine

8-(1-piperazin-1-ylethyl)-2H-pyrido[1,2-a]pyrimidine (PubChem CID 170048765) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 8-(1-piperazin-1-ylethyl)-2H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name8-(1-piperazin-1-ylethyl)-2H-pyrido[1,2-a]pyrimidine
PubChem CID170048765
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name8-(1-piperazin-1-ylethyl)-2H-pyrido[1,2-a]pyrimidine
SMILESCC(C1=CC2=NCC=CN2C=C1)N1CCNCC1
InChIInChI=1S/C14H20N4/c1-12(17-9-5-15-6-10-17)13-3-8-18-7-2-4-16-14(18)11-13/h2-3,7-8,11-12,15H,4-6,9-10H2,1H3
InChIKeyGQYUVMJOVZFESK-UHFFFAOYSA-N
XLogP0.96
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(1-piperazin-1-ylethyl)-2H-pyrido[1,2-a]pyrimidine 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 8-(1-piperazin-1-ylethyl)-2H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 8-(1-piperazin-1-ylethyl)-2H-pyrido[1,2-a]pyrimidine (CID 170048765) is 8-(1-piperazin-1-ylethyl)-2H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 8-(1-piperazin-1-ylethyl)-2H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 8-(1-piperazin-1-ylethyl)-2H-pyrido[1,2-a]pyrimidine is CC(C1=CC2=NCC=CN2C=C1)N1CCNCC1.
What is the InChIKey of 8-(1-piperazin-1-ylethyl)-2H-pyrido[1,2-a]pyrimidine?
The InChIKey is GQYUVMJOVZFESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-12(17-9-5-15-6-10-17)13-3-8-18-7-2-4-16-14(18)11-13/h2-3,7-8,11-12,15H,4-6,9-10H2,1H3.
What are the key properties of 8-(1-piperazin-1-ylethyl)-2H-pyrido[1,2-a]pyrimidine?
8-(1-piperazin-1-ylethyl)-2H-pyrido[1,2-a]pyrimidine has a molecular weight of 244.34 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-piperazin-1-ylethyl)-2H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 170048765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).