2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine

C13H18N4 — CID 175946609

IUPAC2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine
SMILESCN1CCN(C2=CCN3C=CC=CC3=N2)CC1
InChIInChI=1S/C13H18N4/c1-15-8-10-17(11-9-15)13-5-7-16-6-3-2-4-12(16)14-13/h2-6H,7-11H2,1H3
InChIKeyKWWOECLLVIMLDB-UHFFFAOYSA-N
MW230.32 g/mol
LogP0.87
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine

2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine (PubChem CID 175946609) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine
PubChem CID175946609
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine
SMILESCN1CCN(C2=CCN3C=CC=CC3=N2)CC1
InChIInChI=1S/C13H18N4/c1-15-8-10-17(11-9-15)13-5-7-16-6-3-2-4-12(16)14-13/h2-6H,7-11H2,1H3
InChIKeyKWWOECLLVIMLDB-UHFFFAOYSA-N
XLogP0.87
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine (CID 175946609) is 2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine is CN1CCN(C2=CCN3C=CC=CC3=N2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine?
The InChIKey is KWWOECLLVIMLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-15-8-10-17(11-9-15)13-5-7-16-6-3-2-4-12(16)14-13/h2-6H,7-11H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine?
2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine has a molecular weight of 230.32 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 175946609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).