2-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine

C12H16N4 — CID 68748563

IUPAC2-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine
SMILESC1=CC2=NC(N3CCNCC3)=CCN2C=C1
InChIInChI=1S/C12H16N4/c1-2-7-15-8-4-12(14-11(15)3-1)16-9-5-13-6-10-16/h1-4,7,13H,5-6,8-10H2
InChIKeyWKWNTSSKIQMXBI-UHFFFAOYSA-N
MW216.29 g/mol
LogP0.53
Rot. Bonds1

About 2-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine

2-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine (PubChem CID 68748563) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine
PubChem CID68748563
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine
SMILESC1=CC2=NC(N3CCNCC3)=CCN2C=C1
InChIInChI=1S/C12H16N4/c1-2-7-15-8-4-12(14-11(15)3-1)16-9-5-13-6-10-16/h1-4,7,13H,5-6,8-10H2
InChIKeyWKWNTSSKIQMXBI-UHFFFAOYSA-N
XLogP0.53
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 2-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine (CID 68748563) is 2-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 2-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 2-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine is C1=CC2=NC(N3CCNCC3)=CCN2C=C1.
What is the InChIKey of 2-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine?
The InChIKey is WKWNTSSKIQMXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-7-15-8-4-12(14-11(15)3-1)16-9-5-13-6-10-16/h1-4,7,13H,5-6,8-10H2.
What are the key properties of 2-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine?
2-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine has a molecular weight of 216.29 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 68748563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).