2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine

C20H18F2N6O — CID 171576676

IUPAC2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine
SMILESFC(F)Oc1ccc(-c2cnnc(Nc3ccnc(N4CC5CC5C4)n3)c2)cc1
InChIInChI=1S/C20H18F2N6O/c21-19(22)29-16-3-1-12(2-4-16)13-8-18(27-24-9-13)25-17-5-6-23-20(26-17)28-10-14-7-15(14)11-28/h1-6,8-9,14-15,19H,7,10-11H2,(H,23,25,26,27)
InChIKeyGKFZBVGACOOWNF-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.73
Rot. Bonds6

About 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine

2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine (PubChem CID 171576676) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine
PubChem CID171576676
Molecular FormulaC20H18F2N6O
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC Name2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine
SMILESFC(F)Oc1ccc(-c2cnnc(Nc3ccnc(N4CC5CC5C4)n3)c2)cc1
InChIInChI=1S/C20H18F2N6O/c21-19(22)29-16-3-1-12(2-4-16)13-8-18(27-24-9-13)25-17-5-6-23-20(26-17)28-10-14-7-15(14)11-28/h1-6,8-9,14-15,19H,7,10-11H2,(H,23,25,26,27)
InChIKeyGKFZBVGACOOWNF-UHFFFAOYSA-N
XLogP3.73
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine 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 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine (CID 171576676) is 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine is FC(F)Oc1ccc(-c2cnnc(Nc3ccnc(N4CC5CC5C4)n3)c2)cc1.
What is the InChIKey of 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine?
The InChIKey is GKFZBVGACOOWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O/c21-19(22)29-16-3-1-12(2-4-16)13-8-18(27-24-9-13)25-17-5-6-23-20(26-17)28-10-14-7-15(14)11-28/h1-6,8-9,14-15,19H,7,10-11H2,(H,23,25,26,27).
What are the key properties of 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine?
2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine has a molecular weight of 396.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[5-[4-(difluoromethoxy)phenyl]pyridazin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 171576676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).