ethane;2-[2-[[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methoxy]ethoxy]ethanol

C21H37N7O3 — CID 176556513

IUPACethane;2-[2-[[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methoxy]ethoxy]ethanol
SMILESCC.CC.Cc1cnc(N2CCN(c3ncncn3)C(COCCOCCO)C2)nc1
InChIInChI=1S/C17H25N7O3.2C2H6/c1-14-8-19-16(20-9-14)23-2-3-24(17-21-12-18-13-22-17)15(10-23)11-27-7-6-26-5-4-25;2*1-2/h8-9,12-13,15,25H,2-7,10-11H2,1H3;2*1-2H3
InChIKeyJQMZEBDBBRFCLI-UHFFFAOYSA-N
MW435.57 g/mol
LogP1.74
Rot. Bonds9

About ethane;2-[2-[[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methoxy]ethoxy]ethanol

ethane;2-[2-[[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methoxy]ethoxy]ethanol (PubChem CID 176556513) has the molecular formula C21H37N7O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is ethane;2-[2-[[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methoxy]ethoxy]ethanol.

Molecular Properties

Compound Nameethane;2-[2-[[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methoxy]ethoxy]ethanol
PubChem CID176556513
Molecular FormulaC21H37N7O3
Molecular Weight435.57 g/mol
Exact Mass435.30
IUPAC Nameethane;2-[2-[[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methoxy]ethoxy]ethanol
SMILESCC.CC.Cc1cnc(N2CCN(c3ncncn3)C(COCCOCCO)C2)nc1
InChIInChI=1S/C17H25N7O3.2C2H6/c1-14-8-19-16(20-9-14)23-2-3-24(17-21-12-18-13-22-17)15(10-23)11-27-7-6-26-5-4-25;2*1-2/h8-9,12-13,15,25H,2-7,10-11H2,1H3;2*1-2H3
InChIKeyJQMZEBDBBRFCLI-UHFFFAOYSA-N
XLogP1.74
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(methoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine
CID 176556495
ethane;[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methanol;molecular hydrogen
CID 176556468
2-[2-(2,2-dimethoxyethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine;ethane;methane;methanethiol;thiohypoiodous acid
CID 176556417
2-[(2R)-2-[2-(2-fluoroethoxy)ethoxymethyl]-4-[5-[2-[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]ethynyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazine
CID 178066031
2-[(2R)-4-[5-[2-[2-[1-(3-fluoropropyl)pyrazol-4-yl]pyrimidin-5-yl]ethynyl]pyrimidin-2-yl]-2-(methoxymethyl)piperazin-1-yl]-1,3,5-triazine
CID 178066059
2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 114800840
5-[5-[2-[2-[(3R)-4-[5-(2-fluoroethoxy)pyrimidin-2-yl]-3-(methoxymethyl)piperazin-1-yl]pyrimidin-5-yl]ethynyl]-2-pyridinyl]-1,3-oxazole
CID 178066052
2-[1-(furan-2-ylmethyl)-4-(5-methylpyrimidin-2-yl)piperazin-2-yl]ethanol
CID 72870710
2-[(3R)-4-[5-(2-fluoroethoxy)pyrimidin-2-yl]-3-(methoxymethyl)piperazin-1-yl]-5-[(E)-2-(6-imidazol-1-yl-3-pyridinyl)ethenyl]pyrimidine
CID 176556423
2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione
CID 133404031
2-[2-(1,3,5-triazin-2-yloxy)ethoxy]ethanol
CID 175603748
2-[2-[[4-piperazin-1-yl-6-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 102513900

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-[[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methoxy]ethoxy]ethanol?
The IUPAC name of ethane;2-[2-[[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methoxy]ethoxy]ethanol (CID 176556513) is ethane;2-[2-[[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methoxy]ethoxy]ethanol.
What is the SMILES notation for ethane;2-[2-[[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methoxy]ethoxy]ethanol?
The canonical SMILES for ethane;2-[2-[[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methoxy]ethoxy]ethanol is CC.CC.Cc1cnc(N2CCN(c3ncncn3)C(COCCOCCO)C2)nc1.
What is the InChIKey of ethane;2-[2-[[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methoxy]ethoxy]ethanol?
The InChIKey is JQMZEBDBBRFCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O3.2C2H6/c1-14-8-19-16(20-9-14)23-2-3-24(17-21-12-18-13-22-17)15(10-23)11-27-7-6-26-5-4-25;2*1-2/h8-9,12-13,15,25H,2-7,10-11H2,1H3;2*1-2H3.
What are the key properties of ethane;2-[2-[[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methoxy]ethoxy]ethanol?
ethane;2-[2-[[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methoxy]ethoxy]ethanol has a molecular weight of 435.57 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-[[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methoxy]ethoxy]ethanol is sourced from PubChem (CID 176556513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).