4-chloro-6-methyl-1H-pyrazolo[5,4-d]pyrimidine

C6H5ClN4 — CID 20795977

IUPAC4-chloro-6-methyl-1H-pyrazolo[5,4-d]pyrimidine
SMILESCc1nc(Cl)c2cn[nH]c2n1
InChIInChI=1S/C6H5ClN4/c1-3-9-5(7)4-2-8-11-6(4)10-3/h2H,1H3,(H,8,9,10,11)
InChIKeyOWBUPPWTPDJDHZ-UHFFFAOYSA-N
MW168.59 g/mol
LogP1.31
Rot. Bonds

About 4-chloro-6-methyl-1H-pyrazolo[5,4-d]pyrimidine

4-chloro-6-methyl-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 20795977) has the molecular formula C6H5ClN4 and a molecular weight of 168.59 g/mol. Its IUPAC name is 4-chloro-6-methyl-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID20795977
Molecular FormulaC6H5ClN4
Molecular Weight168.59 g/mol
Exact Mass168.02
IUPAC Name4-chloro-6-methyl-1H-pyrazolo[5,4-d]pyrimidine
SMILESCc1nc(Cl)c2cn[nH]c2n1
InChIInChI=1S/C6H5ClN4/c1-3-9-5(7)4-2-8-11-6(4)10-3/h2H,1H3,(H,8,9,10,11)
InChIKeyOWBUPPWTPDJDHZ-UHFFFAOYSA-N
XLogP1.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.59
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-methyl-1H-pyrazolo[5,4-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-6-methyl-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-1H-pyrazolo[5,4-d]pyrimidine (CID 20795977) is 4-chloro-6-methyl-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-1H-pyrazolo[5,4-d]pyrimidine is Cc1nc(Cl)c2cn[nH]c2n1.
What is the InChIKey of 4-chloro-6-methyl-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is OWBUPPWTPDJDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4/c1-3-9-5(7)4-2-8-11-6(4)10-3/h2H,1H3,(H,8,9,10,11).
What are the key properties of 4-chloro-6-methyl-1H-pyrazolo[5,4-d]pyrimidine?
4-chloro-6-methyl-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 168.59 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 20795977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).