3-bromo-4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine

C6H5BrClN5 — CID 71307751

IUPAC3-bromo-4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCn1nc(Br)c2c(Cl)nc(N)nc21
InChIInChI=1S/C6H5BrClN5/c1-13-5-2(3(7)12-13)4(8)10-6(9)11-5/h1H3,(H2,9,10,11)
InChIKeyQDZRVQJWZZXWFZ-UHFFFAOYSA-N
MW262.50 g/mol
LogP1.36
Rot. Bonds

About 3-bromo-4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine

3-bromo-4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 71307751) has the molecular formula C6H5BrClN5 and a molecular weight of 262.50 g/mol. Its IUPAC name is 3-bromo-4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name3-bromo-4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID71307751
Molecular FormulaC6H5BrClN5
Molecular Weight262.50 g/mol
Exact Mass260.94
IUPAC Name3-bromo-4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCn1nc(Br)c2c(Cl)nc(N)nc21
InChIInChI=1S/C6H5BrClN5/c1-13-5-2(3(7)12-13)4(8)10-6(9)11-5/h1H3,(H2,9,10,11)
InChIKeyQDZRVQJWZZXWFZ-UHFFFAOYSA-N
XLogP1.36
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.50
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-bromo-4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-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 3-bromo-4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 3-bromo-4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine (CID 71307751) is 3-bromo-4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 3-bromo-4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 3-bromo-4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine is Cn1nc(Br)c2c(Cl)nc(N)nc21.
What is the InChIKey of 3-bromo-4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is QDZRVQJWZZXWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClN5/c1-13-5-2(3(7)12-13)4(8)10-6(9)11-5/h1H3,(H2,9,10,11).
What are the key properties of 3-bromo-4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine?
3-bromo-4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 262.50 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 71307751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).