6-[(6-methylpyrimidin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane

C11H15N3O — CID 83819872

IUPAC6-[(6-methylpyrimidin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane
SMILESCc1cc(OCC2C3CNCC32)ncn1
InChIInChI=1S/C11H15N3O/c1-7-2-11(14-6-13-7)15-5-10-8-3-12-4-9(8)10/h2,6,8-10,12H,3-5H2,1H3
InChIKeyVKOGIMMDMVBHNH-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.63
Rot. Bonds3

About 6-[(6-methylpyrimidin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane

6-[(6-methylpyrimidin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 83819872) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-[(6-methylpyrimidin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-[(6-methylpyrimidin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane
PubChem CID83819872
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name6-[(6-methylpyrimidin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane
SMILESCc1cc(OCC2C3CNCC32)ncn1
InChIInChI=1S/C11H15N3O/c1-7-2-11(14-6-13-7)15-5-10-8-3-12-4-9(8)10/h2,6,8-10,12H,3-5H2,1H3
InChIKeyVKOGIMMDMVBHNH-UHFFFAOYSA-N
XLogP0.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(6-methylpyrimidin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane 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 6-[(6-methylpyrimidin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-[(6-methylpyrimidin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane (CID 83819872) is 6-[(6-methylpyrimidin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-[(6-methylpyrimidin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-[(6-methylpyrimidin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane is Cc1cc(OCC2C3CNCC32)ncn1.
What is the InChIKey of 6-[(6-methylpyrimidin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is VKOGIMMDMVBHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-2-11(14-6-13-7)15-5-10-8-3-12-4-9(8)10/h2,6,8-10,12H,3-5H2,1H3.
What are the key properties of 6-[(6-methylpyrimidin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane?
6-[(6-methylpyrimidin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 205.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methylpyrimidin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 83819872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).