2-piperazin-1-yl-1,4-dihydropyrimidine

C8H14N4 — CID 89128712

IUPAC2-piperazin-1-yl-1,4-dihydropyrimidine
SMILESC1=CNC(N2CCNCC2)=NC1
InChIInChI=1S/C8H14N4/c1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-2,9H,3-7H2,(H,10,11)
InChIKeyYQNRBQRCICTNEY-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.64
Rot. Bonds

About 2-piperazin-1-yl-1,4-dihydropyrimidine

2-piperazin-1-yl-1,4-dihydropyrimidine (PubChem CID 89128712) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-piperazin-1-yl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-piperazin-1-yl-1,4-dihydropyrimidine
PubChem CID89128712
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-piperazin-1-yl-1,4-dihydropyrimidine
SMILESC1=CNC(N2CCNCC2)=NC1
InChIInChI=1S/C8H14N4/c1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-2,9H,3-7H2,(H,10,11)
InChIKeyYQNRBQRCICTNEY-UHFFFAOYSA-N
XLogP-0.64
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1,4-dihydropyrimidine?
The IUPAC name of 2-piperazin-1-yl-1,4-dihydropyrimidine (CID 89128712) is 2-piperazin-1-yl-1,4-dihydropyrimidine.
What is the SMILES notation for 2-piperazin-1-yl-1,4-dihydropyrimidine?
The canonical SMILES for 2-piperazin-1-yl-1,4-dihydropyrimidine is C1=CNC(N2CCNCC2)=NC1.
What is the InChIKey of 2-piperazin-1-yl-1,4-dihydropyrimidine?
The InChIKey is YQNRBQRCICTNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-2,9H,3-7H2,(H,10,11).
What are the key properties of 2-piperazin-1-yl-1,4-dihydropyrimidine?
2-piperazin-1-yl-1,4-dihydropyrimidine has a molecular weight of 166.23 g/mol, XLogP of -0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1,4-dihydropyrimidine is sourced from PubChem (CID 89128712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).