4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine

C22H34N6 — CID 72850131

IUPAC4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
SMILESCCc1cc(N2CCC(c3nccn3C(C)C)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C22H34N6/c1-4-19-16-20(25-22(24-19)27-11-6-5-7-12-27)26-13-8-18(9-14-26)21-23-10-15-28(21)17(2)3/h10,15-18H,4-9,11-14H2,1-3H3
InChIKeyJFWMEBOIAQZWCG-UHFFFAOYSA-N
MW382.56 g/mol
LogP4.19
Rot. Bonds5

About 4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine

4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine (PubChem CID 72850131) has the molecular formula C22H34N6 and a molecular weight of 382.56 g/mol. Its IUPAC name is 4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
PubChem CID72850131
Molecular FormulaC22H34N6
Molecular Weight382.56 g/mol
Exact Mass382.28
IUPAC Name4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
SMILESCCc1cc(N2CCC(c3nccn3C(C)C)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C22H34N6/c1-4-19-16-20(25-22(24-19)27-11-6-5-7-12-27)26-13-8-18(9-14-26)21-23-10-15-28(21)17(2)3/h10,15-18H,4-9,11-14H2,1-3H3
InChIKeyJFWMEBOIAQZWCG-UHFFFAOYSA-N
XLogP4.19
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine with MolForge

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Related Compounds

4-ethyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 134705870
2-methyl-4-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
CID 72919107
1-(2-cyclopropyl-6-ethylpyrimidin-4-yl)azepane
CID 163347871
(5R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97148136
1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine
CID 97281088
(4S,5S)-9-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecane-4,5-diol
CID 163306327
4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
CID 50970168
4-[4-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylmorpholine
CID 135116475
2-methylsulfanyl-4-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
CID 97192607
(2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154567287
N,N-dimethyl-6-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine
CID 72864312
(3S)-1-pent-2-ynyl-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 97195423

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine (CID 72850131) is 4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine is CCc1cc(N2CCC(c3nccn3C(C)C)CC2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine?
The InChIKey is JFWMEBOIAQZWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6/c1-4-19-16-20(25-22(24-19)27-11-6-5-7-12-27)26-13-8-18(9-14-26)21-23-10-15-28(21)17(2)3/h10,15-18H,4-9,11-14H2,1-3H3.
What are the key properties of 4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine?
4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine has a molecular weight of 382.56 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 72850131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).