6-chloropyrazolo[1,5-a]pyrimidin-3-amine

C6H5ClN4 — CID 84717303

IUPAC6-chloropyrazolo[1,5-a]pyrimidin-3-amine
SMILESNc1cnn2cc(Cl)cnc12
InChIInChI=1S/C6H5ClN4/c7-4-1-9-6-5(8)2-10-11(6)3-4/h1-3H,8H2
InChIKeyZQOZAOYBPVQHNF-UHFFFAOYSA-N
MW168.59 g/mol
LogP0.96
Rot. Bonds

About 6-chloropyrazolo[1,5-a]pyrimidin-3-amine

6-chloropyrazolo[1,5-a]pyrimidin-3-amine (PubChem CID 84717303) has the molecular formula C6H5ClN4 and a molecular weight of 168.59 g/mol. Its IUPAC name is 6-chloropyrazolo[1,5-a]pyrimidin-3-amine.

Molecular Properties

Compound Name6-chloropyrazolo[1,5-a]pyrimidin-3-amine
PubChem CID84717303
Molecular FormulaC6H5ClN4
Molecular Weight168.59 g/mol
Exact Mass168.02
IUPAC Name6-chloropyrazolo[1,5-a]pyrimidin-3-amine
SMILESNc1cnn2cc(Cl)cnc12
InChIInChI=1S/C6H5ClN4/c7-4-1-9-6-5(8)2-10-11(6)3-4/h1-3H,8H2
InChIKeyZQOZAOYBPVQHNF-UHFFFAOYSA-N
XLogP0.96
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.59
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloropyrazolo[1,5-a]pyrimidin-3-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-chloropyrazolo[1,5-a]pyrimidin-3-amine?
The IUPAC name of 6-chloropyrazolo[1,5-a]pyrimidin-3-amine (CID 84717303) is 6-chloropyrazolo[1,5-a]pyrimidin-3-amine.
What is the SMILES notation for 6-chloropyrazolo[1,5-a]pyrimidin-3-amine?
The canonical SMILES for 6-chloropyrazolo[1,5-a]pyrimidin-3-amine is Nc1cnn2cc(Cl)cnc12.
What is the InChIKey of 6-chloropyrazolo[1,5-a]pyrimidin-3-amine?
The InChIKey is ZQOZAOYBPVQHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4/c7-4-1-9-6-5(8)2-10-11(6)3-4/h1-3H,8H2.
What are the key properties of 6-chloropyrazolo[1,5-a]pyrimidin-3-amine?
6-chloropyrazolo[1,5-a]pyrimidin-3-amine has a molecular weight of 168.59 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyrazolo[1,5-a]pyrimidin-3-amine is sourced from PubChem (CID 84717303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).