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

C10H16N4O2 — CID 114586559

IUPAC5-amino-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
SMILESCNCC1CC(Oc2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C10H16N4O2/c1-12-4-6-2-7(3-6)16-10-8(11)9(15)13-5-14-10/h5-7,12H,2-4,11H2,1H3,(H,13,14,15)
InChIKeyBHQPOVLLLFHNJU-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.27
Rot. Bonds4

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

5-amino-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one (PubChem CID 114586559) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
PubChem CID114586559
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
SMILESCNCC1CC(Oc2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C10H16N4O2/c1-12-4-6-2-7(3-6)16-10-8(11)9(15)13-5-14-10/h5-7,12H,2-4,11H2,1H3,(H,13,14,15)
InChIKeyBHQPOVLLLFHNJU-UHFFFAOYSA-N
XLogP-0.27
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-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

Related Compounds

5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954541
5-amino-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one
CID 103240723
5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586350
5-amino-4-[3-(aminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
CID 114586540
5-amino-4-(3-aminocyclobutyl)oxy-1H-pyrimidin-6-one
CID 114586550
4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
CID 114586554
5-iodo-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one
CID 114586561
5-amino-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136979745

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one (CID 114586559) is 5-amino-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one is CNCC1CC(Oc2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one?
The InChIKey is BHQPOVLLLFHNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-12-4-6-2-7(3-6)16-10-8(11)9(15)13-5-14-10/h5-7,12H,2-4,11H2,1H3,(H,13,14,15).
What are the key properties of 5-amino-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one?
5-amino-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-(methylaminomethyl)cyclobutyl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).