methyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate

C17H28N4O2 — CID 84585847

IUPACmethyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate
SMILESCOC(=O)CN(C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1
InChIInChI=1S/C17H28N4O2/c1-12(2)17-18-13(3)10-15(19-17)21-8-6-14(7-9-21)20(4)11-16(22)23-5/h10,12,14H,6-9,11H2,1-5H3
InChIKeyQTGPEVCYBWJAJL-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.98
Rot. Bonds5

About methyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate

methyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate (PubChem CID 84585847) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is methyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate
PubChem CID84585847
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Namemethyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate
SMILESCOC(=O)CN(C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1
InChIInChI=1S/C17H28N4O2/c1-12(2)17-18-13(3)10-15(19-17)21-8-6-14(7-9-21)20(4)11-16(22)23-5/h10,12,14H,6-9,11H2,1-5H3
InChIKeyQTGPEVCYBWJAJL-UHFFFAOYSA-N
XLogP1.98
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate (CID 84585847) is methyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate is COC(=O)CN(C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1.
What is the InChIKey of methyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate?
The InChIKey is QTGPEVCYBWJAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12(2)17-18-13(3)10-15(19-17)21-8-6-14(7-9-21)20(4)11-16(22)23-5/h10,12,14H,6-9,11H2,1-5H3.
What are the key properties of methyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate?
methyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate has a molecular weight of 320.44 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]acetate is sourced from PubChem (CID 84585847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).