4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine

C21H26N6 — CID 133294994

IUPAC4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine
SMILESCCc1cc(N2CCC(Cc3nccn3C)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C21H26N6/c1-3-18-15-20(25-21(24-18)17-4-8-22-9-5-17)27-11-6-16(7-12-27)14-19-23-10-13-26(19)2/h4-5,8-10,13,15-16H,3,6-7,11-12,14H2,1-2H3
InChIKeyAQYRWJBWEBDYID-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.29
Rot. Bonds5

About 4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine

4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine (PubChem CID 133294994) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine
PubChem CID133294994
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine
SMILESCCc1cc(N2CCC(Cc3nccn3C)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C21H26N6/c1-3-18-15-20(25-21(24-18)17-4-8-22-9-5-17)27-11-6-16(7-12-27)14-19-23-10-13-26(19)2/h4-5,8-10,13,15-16H,3,6-7,11-12,14H2,1-2H3
InChIKeyAQYRWJBWEBDYID-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133295060
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 110277725
4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133295037
[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea
CID 133344995
[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95337185
5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 133294642
4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133308307
2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 133349733
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 133294122
6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133358047
[4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 133314479
4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6-ethyl-2-pyridin-4-ylpyrimidine
CID 133295012

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine (CID 133294994) is 4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine is CCc1cc(N2CCC(Cc3nccn3C)CC2)nc(-c2ccncc2)n1.
What is the InChIKey of 4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine?
The InChIKey is AQYRWJBWEBDYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-3-18-15-20(25-21(24-18)17-4-8-22-9-5-17)27-11-6-16(7-12-27)14-19-23-10-13-26(19)2/h4-5,8-10,13,15-16H,3,6-7,11-12,14H2,1-2H3.
What are the key properties of 4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine?
4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine has a molecular weight of 362.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 133294994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).