5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine

C20H30N6 — CID 70744374

IUPAC5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
SMILESCn1ccnc1CCC1CCCCN1Cc1cnc(N2CCCC2)nc1
InChIInChI=1S/C20H30N6/c1-24-13-9-21-19(24)8-7-18-6-2-3-12-26(18)16-17-14-22-20(23-15-17)25-10-4-5-11-25/h9,13-15,18H,2-8,10-12,16H2,1H3
InChIKeyWCQMQMHWJRVGHB-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.80
Rot. Bonds6

About 5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine

5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine (PubChem CID 70744374) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
PubChem CID70744374
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
SMILESCn1ccnc1CCC1CCCCN1Cc1cnc(N2CCCC2)nc1
InChIInChI=1S/C20H30N6/c1-24-13-9-21-19(24)8-7-18-6-2-3-12-26(18)16-17-14-22-20(23-15-17)25-10-4-5-11-25/h9,13-15,18H,2-8,10-12,16H2,1H3
InChIKeyWCQMQMHWJRVGHB-UHFFFAOYSA-N
XLogP2.80
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine (CID 70744374) is 5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine is Cn1ccnc1CCC1CCCCN1Cc1cnc(N2CCCC2)nc1.
What is the InChIKey of 5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is WCQMQMHWJRVGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-24-13-9-21-19(24)8-7-18-6-2-3-12-26(18)16-17-14-22-20(23-15-17)25-10-4-5-11-25/h9,13-15,18H,2-8,10-12,16H2,1H3.
What are the key properties of 5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 354.50 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 70744374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).