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

C20H35N5 — CID 50972909

IUPAC5-ethyl-2-methyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCCc1cnc(C)nc1N1CCN(C2CC(C)(C)NC(C)(C)C2)CC1
InChIInChI=1S/C20H35N5/c1-7-16-14-21-15(2)22-18(16)25-10-8-24(9-11-25)17-12-19(3,4)23-20(5,6)13-17/h14,17,23H,7-13H2,1-6H3
InChIKeyGMNGVIVKMRXXQX-UHFFFAOYSA-N
MW345.54 g/mol
LogP2.78
Rot. Bonds3

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

5-ethyl-2-methyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine (PubChem CID 50972909) has the molecular formula C20H35N5 and a molecular weight of 345.54 g/mol. Its IUPAC name is 5-ethyl-2-methyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-methyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine
PubChem CID50972909
Molecular FormulaC20H35N5
Molecular Weight345.54 g/mol
Exact Mass345.29
IUPAC Name5-ethyl-2-methyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCCc1cnc(C)nc1N1CCN(C2CC(C)(C)NC(C)(C)C2)CC1
InChIInChI=1S/C20H35N5/c1-7-16-14-21-15(2)22-18(16)25-10-8-24(9-11-25)17-12-19(3,4)23-20(5,6)13-17/h14,17,23H,7-13H2,1-6H3
InChIKeyGMNGVIVKMRXXQX-UHFFFAOYSA-N
XLogP2.78
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane
CID 135092676
N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 50972218
5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 56714796
5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine
CID 95135800
1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol
CID 50977781
2-[[4-(5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]quinolin-8-ol
CID 50973799
methyl (3aS,6aS)-5-(5-ethyl-2-methylpyrimidin-4-yl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxylate
CID 46990246
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide
CID 50979976
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
CID 72907206
2-[4-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 56915290
4-hydroxy-1-(2-methyl-5-propylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 56864292
4-[(4aR,6R,8aS)-2-(5-ethyl-2-methylpyrimidin-4-yl)-8a-(methoxymethyl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-6-yl]morpholine
CID 135103825

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-ethyl-2-methyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine (CID 50972909) is 5-ethyl-2-methyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-ethyl-2-methyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-ethyl-2-methyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine is CCc1cnc(C)nc1N1CCN(C2CC(C)(C)NC(C)(C)C2)CC1.
What is the InChIKey of 5-ethyl-2-methyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine?
The InChIKey is GMNGVIVKMRXXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5/c1-7-16-14-21-15(2)22-18(16)25-10-8-24(9-11-25)17-12-19(3,4)23-20(5,6)13-17/h14,17,23H,7-13H2,1-6H3.
What are the key properties of 5-ethyl-2-methyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine?
5-ethyl-2-methyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine has a molecular weight of 345.54 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 50972909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).