5-methoxy-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one

C11H17N3O3 — CID 114586557

IUPAC5-methoxy-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
SMILESCNCC1CC(Oc2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C11H17N3O3/c1-12-5-7-3-8(4-7)17-11-9(16-2)10(15)13-6-14-11/h6-8,12H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyDESWSLJHCVXCIG-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.16
Rot. Bonds5

About 5-methoxy-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one

5-methoxy-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one (PubChem CID 114586557) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-methoxy-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
PubChem CID114586557
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-methoxy-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
SMILESCNCC1CC(Oc2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C11H17N3O3/c1-12-5-7-3-8(4-7)17-11-9(16-2)10(15)13-6-14-11/h6-8,12H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyDESWSLJHCVXCIG-UHFFFAOYSA-N
XLogP0.16
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240473
5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240608
5-methoxy-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one
CID 103240729
5-methoxy-4-(3-methylbutan-2-yloxy)-1H-pyrimidin-6-one
CID 103241824
5-methoxy-4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103286550
5-methoxy-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939640
4-(2-cyclobutylethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 106207974
5-methoxy-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113604875
5-methoxy-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 113756936
5-methoxy-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586348
5-methoxy-4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586402
5-methoxy-4-(pyrrolidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586429

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one (CID 114586557) is 5-methoxy-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one is CNCC1CC(Oc2nc[nH]c(=O)c2OC)C1.
What is the InChIKey of 5-methoxy-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one?
The InChIKey is DESWSLJHCVXCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-12-5-7-3-8(4-7)17-11-9(16-2)10(15)13-6-14-11/h6-8,12H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 5-methoxy-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one?
5-methoxy-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).