N-methyl-1-[3-(4-propoxypyrimidin-2-yl)oxycyclobutyl]methanamine

C13H21N3O2 — CID 112639076

IUPACN-methyl-1-[3-(4-propoxypyrimidin-2-yl)oxycyclobutyl]methanamine
SMILESCCCOc1ccnc(OC2CC(CNC)C2)n1
InChIInChI=1S/C13H21N3O2/c1-3-6-17-12-4-5-15-13(16-12)18-11-7-10(8-11)9-14-2/h4-5,10-11,14H,3,6-9H2,1-2H3
InChIKeyZLAATIOMMNLFFM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.64
Rot. Bonds7

About N-methyl-1-[3-(4-propoxypyrimidin-2-yl)oxycyclobutyl]methanamine

N-methyl-1-[3-(4-propoxypyrimidin-2-yl)oxycyclobutyl]methanamine (PubChem CID 112639076) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-methyl-1-[3-(4-propoxypyrimidin-2-yl)oxycyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(4-propoxypyrimidin-2-yl)oxycyclobutyl]methanamine
PubChem CID112639076
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-methyl-1-[3-(4-propoxypyrimidin-2-yl)oxycyclobutyl]methanamine
SMILESCCCOc1ccnc(OC2CC(CNC)C2)n1
InChIInChI=1S/C13H21N3O2/c1-3-6-17-12-4-5-15-13(16-12)18-11-7-10(8-11)9-14-2/h4-5,10-11,14H,3,6-9H2,1-2H3
InChIKeyZLAATIOMMNLFFM-UHFFFAOYSA-N
XLogP1.64
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[3-(4-propoxypyrimidin-2-yl)oxycyclobutyl]methanamine 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 N-methyl-1-[3-(4-propoxypyrimidin-2-yl)oxycyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[3-(4-propoxypyrimidin-2-yl)oxycyclobutyl]methanamine (CID 112639076) is N-methyl-1-[3-(4-propoxypyrimidin-2-yl)oxycyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(4-propoxypyrimidin-2-yl)oxycyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(4-propoxypyrimidin-2-yl)oxycyclobutyl]methanamine is CCCOc1ccnc(OC2CC(CNC)C2)n1.
What is the InChIKey of N-methyl-1-[3-(4-propoxypyrimidin-2-yl)oxycyclobutyl]methanamine?
The InChIKey is ZLAATIOMMNLFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-6-17-12-4-5-15-13(16-12)18-11-7-10(8-11)9-14-2/h4-5,10-11,14H,3,6-9H2,1-2H3.
What are the key properties of N-methyl-1-[3-(4-propoxypyrimidin-2-yl)oxycyclobutyl]methanamine?
N-methyl-1-[3-(4-propoxypyrimidin-2-yl)oxycyclobutyl]methanamine has a molecular weight of 251.33 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(4-propoxypyrimidin-2-yl)oxycyclobutyl]methanamine is sourced from PubChem (CID 112639076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).