4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine

C20H28N6 — CID 171334066

IUPAC4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
SMILESCc1cccc(CCN2CCN(c3ccnc(N4CCCC4)n3)CC2)n1
InChIInChI=1S/C20H28N6/c1-17-5-4-6-18(22-17)8-12-24-13-15-25(16-14-24)19-7-9-21-20(23-19)26-10-2-3-11-26/h4-7,9H,2-3,8,10-16H2,1H3
InChIKeyKZGIXOGYWNCJAO-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.14
Rot. Bonds5

About 4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine

4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine (PubChem CID 171334066) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
PubChem CID171334066
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
SMILESCc1cccc(CCN2CCN(c3ccnc(N4CCCC4)n3)CC2)n1
InChIInChI=1S/C20H28N6/c1-17-5-4-6-18(22-17)8-12-24-13-15-25(16-14-24)19-7-9-21-20(23-19)26-10-2-3-11-26/h4-7,9H,2-3,8,10-16H2,1H3
InChIKeyKZGIXOGYWNCJAO-UHFFFAOYSA-N
XLogP2.14
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine (CID 171334066) is 4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine is Cc1cccc(CCN2CCN(c3ccnc(N4CCCC4)n3)CC2)n1.
What is the InChIKey of 4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is KZGIXOGYWNCJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-17-5-4-6-18(22-17)8-12-24-13-15-25(16-14-24)19-7-9-21-20(23-19)26-10-2-3-11-26/h4-7,9H,2-3,8,10-16H2,1H3.
What are the key properties of 4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine?
4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 352.49 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 171334066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).