5-[3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one

C17H27N3O4 — CID 137210435

IUPAC5-[3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCOC[C@H]1CN(C(=O)CCc2c(C)nc(C)[nH]c2=O)CC(C)(C)O1
InChIInChI=1S/C17H27N3O4/c1-11-14(16(22)19-12(2)18-11)6-7-15(21)20-8-13(9-23-5)24-17(3,4)10-20/h13H,6-10H2,1-5H3,(H,18,19,22)/t13-/m1/s1
InChIKeyZXDYKZHVJJGDPI-CYBMUJFWSA-N
MW337.42 g/mol
LogP0.97
Rot. Bonds5

About 5-[3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 137210435) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-[3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID137210435
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name5-[3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCOC[C@H]1CN(C(=O)CCc2c(C)nc(C)[nH]c2=O)CC(C)(C)O1
InChIInChI=1S/C17H27N3O4/c1-11-14(16(22)19-12(2)18-11)6-7-15(21)20-8-13(9-23-5)24-17(3,4)10-20/h13H,6-10H2,1-5H3,(H,18,19,22)/t13-/m1/s1
InChIKeyZXDYKZHVJJGDPI-CYBMUJFWSA-N
XLogP0.97
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 137210435) is 5-[3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one is COC[C@H]1CN(C(=O)CCc2c(C)nc(C)[nH]c2=O)CC(C)(C)O1.
What is the InChIKey of 5-[3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is ZXDYKZHVJJGDPI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-11-14(16(22)19-12(2)18-11)6-7-15(21)20-8-13(9-23-5)24-17(3,4)10-20/h13H,6-10H2,1-5H3,(H,18,19,22)/t13-/m1/s1.
What are the key properties of 5-[3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 337.42 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137210435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).