4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine

C16H28N4 — CID 64946749

IUPAC4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine
SMILESCCC1CNC(CC(C)C)CN1Cc1ccnc(C)n1
InChIInChI=1S/C16H28N4/c1-5-16-9-18-15(8-12(2)3)11-20(16)10-14-6-7-17-13(4)19-14/h6-7,12,15-16,18H,5,8-11H2,1-4H3
InChIKeyPWOPKJSJMONJFS-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.38
Rot. Bonds5

About 4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine

4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine (PubChem CID 64946749) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine
PubChem CID64946749
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine
SMILESCCC1CNC(CC(C)C)CN1Cc1ccnc(C)n1
InChIInChI=1S/C16H28N4/c1-5-16-9-18-15(8-12(2)3)11-20(16)10-14-6-7-17-13(4)19-14/h6-7,12,15-16,18H,5,8-11H2,1-4H3
InChIKeyPWOPKJSJMONJFS-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethyl-5-propylpiperazin-1-yl)methyl]-2-methylpyrimidine
CID 64945783
3-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 64946354
4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 64939479
5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64848923
2-ethyl-1-[(4-ethylphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64849498
2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64848535
2-ethyl-1-[(5-ethylthiophen-2-yl)methyl]-5-(2-methylpropyl)piperazine
CID 64849112
2-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-(2-methylpropyl)piperazine
CID 64849690
8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 64946171
4-[(2,5-diethylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
CID 64978673
2-[(2-ethyl-5-propylpiperazin-1-yl)methyl]-5-methylpyrazine
CID 64941741
2-ethyl-5-(2-methylpropyl)-1-(4-methyl-3-pyridinyl)piperazine
CID 64941203

Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine?
The IUPAC name of 4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine (CID 64946749) is 4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine.
What is the SMILES notation for 4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine?
The canonical SMILES for 4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine is CCC1CNC(CC(C)C)CN1Cc1ccnc(C)n1.
What is the InChIKey of 4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine?
The InChIKey is PWOPKJSJMONJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-16-9-18-15(8-12(2)3)11-20(16)10-14-6-7-17-13(4)19-14/h6-7,12,15-16,18H,5,8-11H2,1-4H3.
What are the key properties of 4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine?
4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine has a molecular weight of 276.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine is sourced from PubChem (CID 64946749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).