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

C10H15N3O2 — CID 114586554

IUPAC4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
SMILESCNCC1CC(Oc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H15N3O2/c1-11-5-7-2-8(3-7)15-10-4-9(14)12-6-13-10/h4,6-8,11H,2-3,5H2,1H3,(H,12,13,14)
InChIKeyMPAJYAQRMLGKES-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.15
Rot. Bonds4

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

4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one (PubChem CID 114586554) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
PubChem CID114586554
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
SMILESCNCC1CC(Oc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H15N3O2/c1-11-5-7-2-8(3-7)15-10-4-9(14)12-6-13-10/h4,6-8,11H,2-3,5H2,1H3,(H,12,13,14)
InChIKeyMPAJYAQRMLGKES-UHFFFAOYSA-N
XLogP0.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one (CID 114586554) is 4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one is CNCC1CC(Oc2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one?
The InChIKey is MPAJYAQRMLGKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-11-5-7-2-8(3-7)15-10-4-9(14)12-6-13-10/h4,6-8,11H,2-3,5H2,1H3,(H,12,13,14).
What are the key properties of 4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one?
4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).