7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine

C13H16ClN3O — CID 82269869

IUPAC7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nc2cc(C3CCOCC3)nn2c(Cl)c1C
InChIInChI=1S/C13H16ClN3O/c1-8-9(2)15-12-7-11(16-17(12)13(8)14)10-3-5-18-6-4-10/h7,10H,3-6H2,1-2H3
InChIKeyIMTHIHZDPQSQPA-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.89
Rot. Bonds1

About 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine

7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 82269869) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID82269869
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nc2cc(C3CCOCC3)nn2c(Cl)c1C
InChIInChI=1S/C13H16ClN3O/c1-8-9(2)15-12-7-11(16-17(12)13(8)14)10-3-5-18-6-4-10/h7,10H,3-6H2,1-2H3
InChIKeyIMTHIHZDPQSQPA-UHFFFAOYSA-N
XLogP2.89
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine 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 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine (CID 82269869) is 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine is Cc1nc2cc(C3CCOCC3)nn2c(Cl)c1C.
What is the InChIKey of 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is IMTHIHZDPQSQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-8-9(2)15-12-7-11(16-17(12)13(8)14)10-3-5-18-6-4-10/h7,10H,3-6H2,1-2H3.
What are the key properties of 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine?
7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 265.74 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5,6-dimethyl-2-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82269869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).