2-[[2-ethyl-2-methyl-5-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine

C16H28N4 — CID 64849339

IUPAC2-[[2-ethyl-2-methyl-5-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine
SMILESCCC1(C)CNC(CC(C)C)CN1Cc1ncccn1
InChIInChI=1S/C16H28N4/c1-5-16(4)12-19-14(9-13(2)3)10-20(16)11-15-17-7-6-8-18-15/h6-8,13-14,19H,5,9-12H2,1-4H3
InChIKeyGLQIRQXSLVEJLO-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.47
Rot. Bonds5

About 2-[[2-ethyl-2-methyl-5-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine

2-[[2-ethyl-2-methyl-5-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine (PubChem CID 64849339) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-[[2-ethyl-2-methyl-5-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-[[2-ethyl-2-methyl-5-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine
PubChem CID64849339
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-[[2-ethyl-2-methyl-5-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine
SMILESCCC1(C)CNC(CC(C)C)CN1Cc1ncccn1
InChIInChI=1S/C16H28N4/c1-5-16(4)12-19-14(9-13(2)3)10-20(16)11-15-17-7-6-8-18-15/h6-8,13-14,19H,5,9-12H2,1-4H3
InChIKeyGLQIRQXSLVEJLO-UHFFFAOYSA-N
XLogP2.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-2-methyl-5-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-[[2-ethyl-2-methyl-5-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine (CID 64849339) is 2-[[2-ethyl-2-methyl-5-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-[[2-ethyl-2-methyl-5-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-[[2-ethyl-2-methyl-5-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine is CCC1(C)CNC(CC(C)C)CN1Cc1ncccn1.
What is the InChIKey of 2-[[2-ethyl-2-methyl-5-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine?
The InChIKey is GLQIRQXSLVEJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-16(4)12-19-14(9-13(2)3)10-20(16)11-15-17-7-6-8-18-15/h6-8,13-14,19H,5,9-12H2,1-4H3.
What are the key properties of 2-[[2-ethyl-2-methyl-5-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine?
2-[[2-ethyl-2-methyl-5-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine has a molecular weight of 276.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-2-methyl-5-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 64849339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).