6-chloro-3-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one

C13H20ClN3O2 — CID 176666930

IUPAC6-chloro-3-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one
SMILESCn1c(N2CC(C)(C)OC(C)(C)C2)nc(Cl)cc1=O
InChIInChI=1S/C13H20ClN3O2/c1-12(2)7-17(8-13(3,4)19-12)11-15-9(14)6-10(18)16(11)5/h6H,7-8H2,1-5H3
InChIKeyMXIIYYNCSQARSM-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.83
Rot. Bonds1

About 6-chloro-3-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one

6-chloro-3-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one (PubChem CID 176666930) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 6-chloro-3-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one
PubChem CID176666930
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name6-chloro-3-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one
SMILESCn1c(N2CC(C)(C)OC(C)(C)C2)nc(Cl)cc1=O
InChIInChI=1S/C13H20ClN3O2/c1-12(2)7-17(8-13(3,4)19-12)11-15-9(14)6-10(18)16(11)5/h6H,7-8H2,1-5H3
InChIKeyMXIIYYNCSQARSM-UHFFFAOYSA-N
XLogP1.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one (CID 176666930) is 6-chloro-3-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one is Cn1c(N2CC(C)(C)OC(C)(C)C2)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one?
The InChIKey is MXIIYYNCSQARSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-12(2)7-17(8-13(3,4)19-12)11-15-9(14)6-10(18)16(11)5/h6H,7-8H2,1-5H3.
What are the key properties of 6-chloro-3-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one?
6-chloro-3-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one has a molecular weight of 285.78 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one is sourced from PubChem (CID 176666930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).