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

C12H16N4 — CID 175946614

IUPAC7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine
SMILESC1=CN=C2C=CC(N3CCNCC3)=CN2C1
InChIInChI=1S/C12H16N4/c1-4-14-12-3-2-11(10-16(12)7-1)15-8-5-13-6-9-15/h1-4,10,13H,5-9H2
InChIKeyNHGDDVGGVMJMCW-UHFFFAOYSA-N
MW216.29 g/mol
LogP0.53
Rot. Bonds1

About 7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine

7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine (PubChem CID 175946614) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine
PubChem CID175946614
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine
SMILESC1=CN=C2C=CC(N3CCNCC3)=CN2C1
InChIInChI=1S/C12H16N4/c1-4-14-12-3-2-11(10-16(12)7-1)15-8-5-13-6-9-15/h1-4,10,13H,5-9H2
InChIKeyNHGDDVGGVMJMCW-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 7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine (CID 175946614) is 7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine is C1=CN=C2C=CC(N3CCNCC3)=CN2C1.
What is the InChIKey of 7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine?
The InChIKey is NHGDDVGGVMJMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-4-14-12-3-2-11(10-16(12)7-1)15-8-5-13-6-9-15/h1-4,10,13H,5-9H2.
What are the key properties of 7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine?
7-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 7-piperazin-1-yl-4H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 175946614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).