2-[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]-4-methylmorpholine

C17H28N4O2 — CID 110271922

IUPAC2-[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]-4-methylmorpholine
SMILESCOCC1CCN(c2cc(C3CN(C)CCO3)nc(C)n2)CC1
InChIInChI=1S/C17H28N4O2/c1-13-18-15(16-11-20(2)8-9-23-16)10-17(19-13)21-6-4-14(5-7-21)12-22-3/h10,14,16H,4-9,11-12H2,1-3H3
InChIKeyDOSBFILGJORGAQ-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.65
Rot. Bonds4

About 2-[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]-4-methylmorpholine

2-[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]-4-methylmorpholine (PubChem CID 110271922) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]-4-methylmorpholine
PubChem CID110271922
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]-4-methylmorpholine
SMILESCOCC1CCN(c2cc(C3CN(C)CCO3)nc(C)n2)CC1
InChIInChI=1S/C17H28N4O2/c1-13-18-15(16-11-20(2)8-9-23-16)10-17(19-13)21-6-4-14(5-7-21)12-22-3/h10,14,16H,4-9,11-12H2,1-3H3
InChIKeyDOSBFILGJORGAQ-UHFFFAOYSA-N
XLogP1.65
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]-4-methylmorpholine?
The IUPAC name of 2-[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]-4-methylmorpholine (CID 110271922) is 2-[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]-4-methylmorpholine.
What is the SMILES notation for 2-[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]-4-methylmorpholine?
The canonical SMILES for 2-[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]-4-methylmorpholine is COCC1CCN(c2cc(C3CN(C)CCO3)nc(C)n2)CC1.
What is the InChIKey of 2-[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]-4-methylmorpholine?
The InChIKey is DOSBFILGJORGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-18-15(16-11-20(2)8-9-23-16)10-17(19-13)21-6-4-14(5-7-21)12-22-3/h10,14,16H,4-9,11-12H2,1-3H3.
What are the key properties of 2-[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]-4-methylmorpholine?
2-[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]-4-methylmorpholine has a molecular weight of 320.44 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]-4-methylmorpholine is sourced from PubChem (CID 110271922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).