6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione

C11H17N3O3 — CID 5233563

IUPAC6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCC1CN(c2cc(=O)n(C)c(=O)[nH]2)CC(C)O1
InChIInChI=1S/C11H17N3O3/c1-7-5-14(6-8(2)17-7)9-4-10(15)13(3)11(16)12-9/h4,7-8H,5-6H2,1-3H3,(H,12,16)
InChIKeyUHTIFRDYTOSCQD-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.31
Rot. Bonds1

About 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione

6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 5233563) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID5233563
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCC1CN(c2cc(=O)n(C)c(=O)[nH]2)CC(C)O1
InChIInChI=1S/C11H17N3O3/c1-7-5-14(6-8(2)17-7)9-4-10(15)13(3)11(16)12-9/h4,7-8H,5-6H2,1-3H3,(H,12,16)
InChIKeyUHTIFRDYTOSCQD-UHFFFAOYSA-N
XLogP-0.31
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione (CID 5233563) is 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione is CC1CN(c2cc(=O)n(C)c(=O)[nH]2)CC(C)O1.
What is the InChIKey of 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is UHTIFRDYTOSCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-5-14(6-8(2)17-7)9-4-10(15)13(3)11(16)12-9/h4,7-8H,5-6H2,1-3H3,(H,12,16).
What are the key properties of 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione?
6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 239.28 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylmorpholin-4-yl)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 5233563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).