5-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3-oxazolidin-2-one;dihydrochloride

C14H22Cl2N4O2 — CID 171687283

IUPAC5-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3-oxazolidin-2-one;dihydrochloride
SMILESCc1nc(C2CCNCC2)cc(N2CC(C)OC2=O)n1.Cl.Cl
InChIInChI=1S/C14H20N4O2.2ClH/c1-9-8-18(14(19)20-9)13-7-12(16-10(2)17-13)11-3-5-15-6-4-11;;/h7,9,11,15H,3-6,8H2,1-2H3;2*1H
InChIKeyGSPXRQZSGLTVDJ-UHFFFAOYSA-N
MW349.26 g/mol
LogP2.44
Rot. Bonds2

About 5-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3-oxazolidin-2-one;dihydrochloride

5-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3-oxazolidin-2-one;dihydrochloride (PubChem CID 171687283) has the molecular formula C14H22Cl2N4O2 and a molecular weight of 349.26 g/mol. Its IUPAC name is 5-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3-oxazolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name5-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3-oxazolidin-2-one;dihydrochloride
PubChem CID171687283
Molecular FormulaC14H22Cl2N4O2
Molecular Weight349.26 g/mol
Exact Mass348.11
IUPAC Name5-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3-oxazolidin-2-one;dihydrochloride
SMILESCc1nc(C2CCNCC2)cc(N2CC(C)OC2=O)n1.Cl.Cl
InChIInChI=1S/C14H20N4O2.2ClH/c1-9-8-18(14(19)20-9)13-7-12(16-10(2)17-13)11-3-5-15-6-4-11;;/h7,9,11,15H,3-6,8H2,1-2H3;2*1H
InChIKeyGSPXRQZSGLTVDJ-UHFFFAOYSA-N
XLogP2.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3-oxazolidin-2-one;dihydrochloride?
The IUPAC name of 5-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3-oxazolidin-2-one;dihydrochloride (CID 171687283) is 5-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3-oxazolidin-2-one;dihydrochloride.
What is the SMILES notation for 5-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3-oxazolidin-2-one;dihydrochloride?
The canonical SMILES for 5-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3-oxazolidin-2-one;dihydrochloride is Cc1nc(C2CCNCC2)cc(N2CC(C)OC2=O)n1.Cl.Cl.
What is the InChIKey of 5-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3-oxazolidin-2-one;dihydrochloride?
The InChIKey is GSPXRQZSGLTVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.2ClH/c1-9-8-18(14(19)20-9)13-7-12(16-10(2)17-13)11-3-5-15-6-4-11;;/h7,9,11,15H,3-6,8H2,1-2H3;2*1H.
What are the key properties of 5-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3-oxazolidin-2-one;dihydrochloride?
5-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3-oxazolidin-2-one;dihydrochloride has a molecular weight of 349.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3-oxazolidin-2-one;dihydrochloride is sourced from PubChem (CID 171687283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).