4-chloro-3-methyl-6-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine

C9H11ClN4 — CID 82394736

IUPAC4-chloro-3-methyl-6-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCc1[nH]nc2nc(C(C)C)nc(Cl)c12
InChIInChI=1S/C9H11ClN4/c1-4(2)8-11-7(10)6-5(3)13-14-9(6)12-8/h4H,1-3H3,(H,11,12,13,14)
InChIKeyDCMOCMZGFYHCLK-UHFFFAOYSA-N
MW210.67 g/mol
LogP2.44
Rot. Bonds1

About 4-chloro-3-methyl-6-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine

4-chloro-3-methyl-6-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 82394736) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 4-chloro-3-methyl-6-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-3-methyl-6-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID82394736
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name4-chloro-3-methyl-6-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCc1[nH]nc2nc(C(C)C)nc(Cl)c12
InChIInChI=1S/C9H11ClN4/c1-4(2)8-11-7(10)6-5(3)13-14-9(6)12-8/h4H,1-3H3,(H,11,12,13,14)
InChIKeyDCMOCMZGFYHCLK-UHFFFAOYSA-N
XLogP2.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-3-methyl-6-propan-2-yl-2H-pyrazolo[3,4-d]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 4-chloro-3-methyl-6-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-3-methyl-6-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine (CID 82394736) is 4-chloro-3-methyl-6-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-3-methyl-6-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-3-methyl-6-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine is Cc1[nH]nc2nc(C(C)C)nc(Cl)c12.
What is the InChIKey of 4-chloro-3-methyl-6-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is DCMOCMZGFYHCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c1-4(2)8-11-7(10)6-5(3)13-14-9(6)12-8/h4H,1-3H3,(H,11,12,13,14).
What are the key properties of 4-chloro-3-methyl-6-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine?
4-chloro-3-methyl-6-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 210.67 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-6-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 82394736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).