2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine

C20H31N5 — CID 133368138

IUPAC2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine
SMILESCC(C)(C)c1cc(N2CCC(n3ccnc3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C20H31N5/c1-19(2,3)16-13-17(23-18(22-16)20(4,5)6)24-10-7-15(8-11-24)25-12-9-21-14-25/h9,12-15H,7-8,10-11H2,1-6H3
InChIKeyPOCAENPDUHZIQG-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.11
Rot. Bonds2

About 2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine

2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine (PubChem CID 133368138) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine
PubChem CID133368138
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC Name2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine
SMILESCC(C)(C)c1cc(N2CCC(n3ccnc3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C20H31N5/c1-19(2,3)16-13-17(23-18(22-16)20(4,5)6)24-10-7-15(8-11-24)25-12-9-21-14-25/h9,12-15H,7-8,10-11H2,1-6H3
InChIKeyPOCAENPDUHZIQG-UHFFFAOYSA-N
XLogP4.11
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butyl-2-(4-imidazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 133279862
2-(4-imidazol-1-ylpiperidin-1-yl)pyridine
CID 56788029
[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384520
2,4-ditert-butyl-6-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)pyrimidine
CID 133383773
1-[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 133397917
1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine
CID 58877698
cyclopropyl-[4-(2,6-ditert-butylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133499066
6-(4-imidazol-1-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122053398
3-tert-butyl-5-(3-imidazol-1-yl-4-methylpiperidin-1-yl)-1,2,4-thiadiazole
CID 133494579
2-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide
CID 133367985
4-[6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464269
N-(5-tert-butyl-2-methylphenyl)-2-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-amine
CID 25158512

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine (CID 133368138) is 2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine is CC(C)(C)c1cc(N2CCC(n3ccnc3)CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine?
The InChIKey is POCAENPDUHZIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5/c1-19(2,3)16-13-17(23-18(22-16)20(4,5)6)24-10-7-15(8-11-24)25-12-9-21-14-25/h9,12-15H,7-8,10-11H2,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine?
2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine has a molecular weight of 341.50 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 133368138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).