6-chloro-2-(3-fluorocyclobutyl)pyrimidin-4-amine

C8H9ClFN3 — CID 166547424

IUPAC6-chloro-2-(3-fluorocyclobutyl)pyrimidin-4-amine
SMILESNc1cc(Cl)nc(C2CC(F)C2)n1
InChIInChI=1S/C8H9ClFN3/c9-6-3-7(11)13-8(12-6)4-1-5(10)2-4/h3-5H,1-2H2,(H2,11,12,13)
InChIKeyINKQLGXJQLTQHX-UHFFFAOYSA-N
MW201.63 g/mol
LogP1.93
Rot. Bonds1

About 6-chloro-2-(3-fluorocyclobutyl)pyrimidin-4-amine

6-chloro-2-(3-fluorocyclobutyl)pyrimidin-4-amine (PubChem CID 166547424) has the molecular formula C8H9ClFN3 and a molecular weight of 201.63 g/mol. Its IUPAC name is 6-chloro-2-(3-fluorocyclobutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(3-fluorocyclobutyl)pyrimidin-4-amine
PubChem CID166547424
Molecular FormulaC8H9ClFN3
Molecular Weight201.63 g/mol
Exact Mass201.05
IUPAC Name6-chloro-2-(3-fluorocyclobutyl)pyrimidin-4-amine
SMILESNc1cc(Cl)nc(C2CC(F)C2)n1
InChIInChI=1S/C8H9ClFN3/c9-6-3-7(11)13-8(12-6)4-1-5(10)2-4/h3-5H,1-2H2,(H2,11,12,13)
InChIKeyINKQLGXJQLTQHX-UHFFFAOYSA-N
XLogP1.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-(3-fluorocyclobutyl)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 6-chloro-2-(3-fluorocyclobutyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(3-fluorocyclobutyl)pyrimidin-4-amine (CID 166547424) is 6-chloro-2-(3-fluorocyclobutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(3-fluorocyclobutyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(3-fluorocyclobutyl)pyrimidin-4-amine is Nc1cc(Cl)nc(C2CC(F)C2)n1.
What is the InChIKey of 6-chloro-2-(3-fluorocyclobutyl)pyrimidin-4-amine?
The InChIKey is INKQLGXJQLTQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN3/c9-6-3-7(11)13-8(12-6)4-1-5(10)2-4/h3-5H,1-2H2,(H2,11,12,13).
What are the key properties of 6-chloro-2-(3-fluorocyclobutyl)pyrimidin-4-amine?
6-chloro-2-(3-fluorocyclobutyl)pyrimidin-4-amine has a molecular weight of 201.63 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-fluorocyclobutyl)pyrimidin-4-amine is sourced from PubChem (CID 166547424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).