4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine

C21H26N6 — CID 133295037

IUPAC4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
SMILESCCc1cc(N2CCCC(n3ccnc3CC)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C21H26N6/c1-3-17-14-20(25-21(24-17)16-7-9-22-10-8-16)26-12-5-6-18(15-26)27-13-11-23-19(27)4-2/h7-11,13-14,18H,3-6,12,15H2,1-2H3
InChIKeyDDJXXMGYDNQMFF-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.70
Rot. Bonds5

About 4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine

4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine (PubChem CID 133295037) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
PubChem CID133295037
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
SMILESCCc1cc(N2CCCC(n3ccnc3CC)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C21H26N6/c1-3-17-14-20(25-21(24-17)16-7-9-22-10-8-16)26-12-5-6-18(15-26)27-13-11-23-19(27)4-2/h7-11,13-14,18H,3-6,12,15H2,1-2H3
InChIKeyDDJXXMGYDNQMFF-UHFFFAOYSA-N
XLogP3.70
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine (CID 133295037) is 4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine is CCc1cc(N2CCCC(n3ccnc3CC)C2)nc(-c2ccncc2)n1.
What is the InChIKey of 4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine?
The InChIKey is DDJXXMGYDNQMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-3-17-14-20(25-21(24-17)16-7-9-22-10-8-16)26-12-5-6-18(15-26)27-13-11-23-19(27)4-2/h7-11,13-14,18H,3-6,12,15H2,1-2H3.
What are the key properties of 4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine?
4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine has a molecular weight of 362.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 133295037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).