4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine

C16H22N6 — CID 154882608

IUPAC4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
SMILESCCc1cc(N2CCN(c3ncc(C)cn3)CC2)nc(C)n1
InChIInChI=1S/C16H22N6/c1-4-14-9-15(20-13(3)19-14)21-5-7-22(8-6-21)16-17-10-12(2)11-18-16/h9-11H,4-8H2,1-3H3
InChIKeyNIFGTYZMYJAEFY-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.77
Rot. Bonds3

About 4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine

4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine (PubChem CID 154882608) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
PubChem CID154882608
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
SMILESCCc1cc(N2CCN(c3ncc(C)cn3)CC2)nc(C)n1
InChIInChI=1S/C16H22N6/c1-4-14-9-15(20-13(3)19-14)21-5-7-22(8-6-21)16-17-10-12(2)11-18-16/h9-11H,4-8H2,1-3H3
InChIKeyNIFGTYZMYJAEFY-UHFFFAOYSA-N
XLogP1.77
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
CID 163344141
ethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 144625270
4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
CID 133460505
4-[4-(ethoxymethyl)piperidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133460751
ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane
CID 170581673
4-tert-butyl-6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine
CID 154582470
N-methyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-1-(5-methyl-2-pyridinyl)ethanamine
CID 138501798
4-benzyl-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methyl-1,4-diazepane
CID 133461463
4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine
CID 133472422
(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 97055767
5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 171333757
4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine
CID 133460499

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine (CID 154882608) is 4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine is CCc1cc(N2CCN(c3ncc(C)cn3)CC2)nc(C)n1.
What is the InChIKey of 4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
The InChIKey is NIFGTYZMYJAEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-4-14-9-15(20-13(3)19-14)21-5-7-22(8-6-21)16-17-10-12(2)11-18-16/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine?
4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine has a molecular weight of 298.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 154882608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).