4-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methylpyrimidine

C13H22N4 — CID 64952945

IUPAC4-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methylpyrimidine
SMILESCCC1(C)CN(Cc2ccnc(C)n2)CCN1
InChIInChI=1S/C13H22N4/c1-4-13(3)10-17(8-7-15-13)9-12-5-6-14-11(2)16-12/h5-6,15H,4,7-10H2,1-3H3
InChIKeyGXTBMGZQAUTPAE-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.36
Rot. Bonds3

About 4-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methylpyrimidine

4-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methylpyrimidine (PubChem CID 64952945) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methylpyrimidine
PubChem CID64952945
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methylpyrimidine
SMILESCCC1(C)CN(Cc2ccnc(C)n2)CCN1
InChIInChI=1S/C13H22N4/c1-4-13(3)10-17(8-7-15-13)9-12-5-6-14-11(2)16-12/h5-6,15H,4,7-10H2,1-3H3
InChIKeyGXTBMGZQAUTPAE-UHFFFAOYSA-N
XLogP1.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-[(2-methylpyrimidin-4-yl)methyl]-1,4-diazepane
CID 64948748
10-[(2-methylpyrimidin-4-yl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64949153
5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64953207
3-ethyl-3-methyl-1-[(5-methylpyrazin-2-yl)methyl]-1,4-diazepane
CID 64948988
2-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64834447
5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64925151
3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 115529613
6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334823
8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 64871920
1-[(2-chloro-4-methylphenyl)methyl]-3-ethyl-3-methylpiperazine
CID 106870298
1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one
CID 115370501
(2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide
CID 95839658

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methylpyrimidine?
The IUPAC name of 4-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methylpyrimidine (CID 64952945) is 4-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methylpyrimidine.
What is the SMILES notation for 4-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methylpyrimidine?
The canonical SMILES for 4-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methylpyrimidine is CCC1(C)CN(Cc2ccnc(C)n2)CCN1.
What is the InChIKey of 4-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methylpyrimidine?
The InChIKey is GXTBMGZQAUTPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-13(3)10-17(8-7-15-13)9-12-5-6-14-11(2)16-12/h5-6,15H,4,7-10H2,1-3H3.
What are the key properties of 4-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methylpyrimidine?
4-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methylpyrimidine has a molecular weight of 234.35 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methylpyrimidine is sourced from PubChem (CID 64952945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).