5-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine

C15H19N5 — CID 110454906

IUPAC5-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine
SMILESCC(c1ccncc1)N1CCN(c2cncnc2)CC1
InChIInChI=1S/C15H19N5/c1-13(14-2-4-16-5-3-14)19-6-8-20(9-7-19)15-10-17-12-18-11-15/h2-5,10-13H,6-9H2,1H3
InChIKeyKPMYKWVXBJETPB-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.75
Rot. Bonds3

About 5-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine

5-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine (PubChem CID 110454906) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine
PubChem CID110454906
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name5-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine
SMILESCC(c1ccncc1)N1CCN(c2cncnc2)CC1
InChIInChI=1S/C15H19N5/c1-13(14-2-4-16-5-3-14)19-6-8-20(9-7-19)15-10-17-12-18-11-15/h2-5,10-13H,6-9H2,1H3
InChIKeyKPMYKWVXBJETPB-UHFFFAOYSA-N
XLogP1.75
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine (CID 110454906) is 5-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine is CC(c1ccncc1)N1CCN(c2cncnc2)CC1.
What is the InChIKey of 5-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine?
The InChIKey is KPMYKWVXBJETPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-13(14-2-4-16-5-3-14)19-6-8-20(9-7-19)15-10-17-12-18-11-15/h2-5,10-13H,6-9H2,1H3.
What are the key properties of 5-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine?
5-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine has a molecular weight of 269.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-pyridin-4-ylethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 110454906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).