4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one

C11H17N3O4 — CID 136783250

IUPAC4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CC(C)OC(CO)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-7-3-14(4-8(5-15)18-7)10-9(17-2)11(16)13-6-12-10/h6-8,15H,3-5H2,1-2H3,(H,12,13,16)
InChIKeyWKYNPIIZTSRDAD-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.64
Rot. Bonds3

About 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one

4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136783250) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136783250
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CC(C)OC(CO)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O4/c1-7-3-14(4-8(5-15)18-7)10-9(17-2)11(16)13-6-12-10/h6-8,15H,3-5H2,1-2H3,(H,12,13,16)
InChIKeyWKYNPIIZTSRDAD-UHFFFAOYSA-N
XLogP-0.64
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113718898
5-methoxy-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586610
4-(3,4-dihydroxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136766526
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783253
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783254
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136783269
4-[(3S)-3-hydroxypiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136811793
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136825661
4-[2-(hydroxymethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136958037
5-bromo-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 136958039
4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 136958040
2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 136958929

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one (CID 136783250) is 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CC(C)OC(CO)C2)nc[nH]c1=O.
What is the InChIKey of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is WKYNPIIZTSRDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-7-3-14(4-8(5-15)18-7)10-9(17-2)11(16)13-6-12-10/h6-8,15H,3-5H2,1-2H3,(H,12,13,16).
What are the key properties of 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 255.27 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136783250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).