ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine

C17H31N3 — CID 170578273

IUPACethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
SMILESCC.CC(C)c1cnc(N2CCC(C(C)C)CC2)nc1
InChIInChI=1S/C15H25N3.C2H6/c1-11(2)13-5-7-18(8-6-13)15-16-9-14(10-17-15)12(3)4;1-2/h9-13H,5-8H2,1-4H3;1-2H3
InChIKeyGPJARYWLZOYLOD-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.50
Rot. Bonds3

About ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine

ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine (PubChem CID 170578273) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Nameethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
PubChem CID170578273
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Nameethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
SMILESCC.CC(C)c1cnc(N2CCC(C(C)C)CC2)nc1
InChIInChI=1S/C15H25N3.C2H6/c1-11(2)13-5-7-18(8-6-13)15-16-9-14(10-17-15)12(3)4;1-2/h9-13H,5-8H2,1-4H3;1-2H3
InChIKeyGPJARYWLZOYLOD-UHFFFAOYSA-N
XLogP4.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 145380217
1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-amine
CID 103278591
ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
CID 170578345
5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 104843946
3-(1-methylazetidin-3-yl)-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 170578259
propane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
CID 170581879
5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane
CID 145380179
5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 155741054
N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine
CID 116976203
2-piperazin-1-yl-5-propan-2-ylpyrimidine
CID 103278323
2-(4-propan-2-ylpiperidin-1-yl)pyrimidine-5-sulfinate
CID 166900854
ethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine
CID 168923399

Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine (CID 170578273) is ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine is CC.CC(C)c1cnc(N2CCC(C(C)C)CC2)nc1.
What is the InChIKey of ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The InChIKey is GPJARYWLZOYLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3.C2H6/c1-11(2)13-5-7-18(8-6-13)15-16-9-14(10-17-15)12(3)4;1-2/h9-13H,5-8H2,1-4H3;1-2H3.
What are the key properties of ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine has a molecular weight of 277.46 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 170578273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).