N-[[4-(6-ethoxy-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methyl]-5,5-dimethylhexanamide

C21H36N4O3 — CID 138049196

IUPACN-[[4-(6-ethoxy-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methyl]-5,5-dimethylhexanamide
SMILESCCOc1cc(N2CCOC(C)(CNC(=O)CCCC(C)(C)C)C2)nc(C)n1
InChIInChI=1S/C21H36N4O3/c1-7-27-19-13-17(23-16(2)24-19)25-11-12-28-21(6,15-25)14-22-18(26)9-8-10-20(3,4)5/h13H,7-12,14-15H2,1-6H3,(H,22,26)
InChIKeyZONRMXQALFYBSL-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.11
Rot. Bonds8

About N-[[4-(6-ethoxy-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methyl]-5,5-dimethylhexanamide

N-[[4-(6-ethoxy-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methyl]-5,5-dimethylhexanamide (PubChem CID 138049196) has the molecular formula C21H36N4O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[[4-(6-ethoxy-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methyl]-5,5-dimethylhexanamide.

Molecular Properties

Compound NameN-[[4-(6-ethoxy-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methyl]-5,5-dimethylhexanamide
PubChem CID138049196
Molecular FormulaC21H36N4O3
Molecular Weight392.54 g/mol
Exact Mass392.28
IUPAC NameN-[[4-(6-ethoxy-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methyl]-5,5-dimethylhexanamide
SMILESCCOc1cc(N2CCOC(C)(CNC(=O)CCCC(C)(C)C)C2)nc(C)n1
InChIInChI=1S/C21H36N4O3/c1-7-27-19-13-17(23-16(2)24-19)25-11-12-28-21(6,15-25)14-22-18(26)9-8-10-20(3,4)5/h13H,7-12,14-15H2,1-6H3,(H,22,26)
InChIKeyZONRMXQALFYBSL-UHFFFAOYSA-N
XLogP3.11
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(6-ethoxy-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methyl]-5,5-dimethylhexanamide with MolForge

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Related Compounds

1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid
CID 66333107
1-[1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321805
2-[ethyl(methyl)amino]-N-[[4-[2-(methoxymethyl)pyrimidin-4-yl]-2-methylmorpholin-2-yl]methyl]acetamide
CID 167857909
ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 66334132
[1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine
CID 107160328
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 66332496
6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 66327746
2-fluoro-3-methyl-N-[[2-methyl-4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)morpholin-2-yl]methyl]but-2-enamide
CID 154784273
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 121035022
N-[[4-(2,2-dimethylpent-4-enoyl)-2-methylmorpholin-2-yl]methyl]hexanamide
CID 154786689
1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidin-4-amine
CID 66332707
2-[[(6-ethoxy-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430115

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6-ethoxy-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methyl]-5,5-dimethylhexanamide?
The IUPAC name of N-[[4-(6-ethoxy-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methyl]-5,5-dimethylhexanamide (CID 138049196) is N-[[4-(6-ethoxy-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methyl]-5,5-dimethylhexanamide.
What is the SMILES notation for N-[[4-(6-ethoxy-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methyl]-5,5-dimethylhexanamide?
The canonical SMILES for N-[[4-(6-ethoxy-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methyl]-5,5-dimethylhexanamide is CCOc1cc(N2CCOC(C)(CNC(=O)CCCC(C)(C)C)C2)nc(C)n1.
What is the InChIKey of N-[[4-(6-ethoxy-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methyl]-5,5-dimethylhexanamide?
The InChIKey is ZONRMXQALFYBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O3/c1-7-27-19-13-17(23-16(2)24-19)25-11-12-28-21(6,15-25)14-22-18(26)9-8-10-20(3,4)5/h13H,7-12,14-15H2,1-6H3,(H,22,26).
What are the key properties of N-[[4-(6-ethoxy-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methyl]-5,5-dimethylhexanamide?
N-[[4-(6-ethoxy-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methyl]-5,5-dimethylhexanamide has a molecular weight of 392.54 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6-ethoxy-2-methylpyrimidin-4-yl)-2-methylmorpholin-2-yl]methyl]-5,5-dimethylhexanamide is sourced from PubChem (CID 138049196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).