3-bromo-4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine

C6H3BrCl2N4 — CID 84715127

IUPAC3-bromo-4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1nc(Br)c2c(Cl)nc(Cl)nc21
InChIInChI=1S/C6H3BrCl2N4/c1-13-5-2(3(7)12-13)4(8)10-6(9)11-5/h1H3
InChIKeyLCNUPXGUFFSKOP-UHFFFAOYSA-N
MW281.93 g/mol
LogP2.43
Rot. Bonds

About 3-bromo-4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine

3-bromo-4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 84715127) has the molecular formula C6H3BrCl2N4 and a molecular weight of 281.93 g/mol. Its IUPAC name is 3-bromo-4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3-bromo-4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID84715127
Molecular FormulaC6H3BrCl2N4
Molecular Weight281.93 g/mol
Exact Mass279.89
IUPAC Name3-bromo-4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1nc(Br)c2c(Cl)nc(Cl)nc21
InChIInChI=1S/C6H3BrCl2N4/c1-13-5-2(3(7)12-13)4(8)10-6(9)11-5/h1H3
InChIKeyLCNUPXGUFFSKOP-UHFFFAOYSA-N
XLogP2.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.93
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 3-bromo-4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine (CID 84715127) is 3-bromo-4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3-bromo-4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 3-bromo-4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine is Cn1nc(Br)c2c(Cl)nc(Cl)nc21.
What is the InChIKey of 3-bromo-4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is LCNUPXGUFFSKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrCl2N4/c1-13-5-2(3(7)12-13)4(8)10-6(9)11-5/h1H3.
What are the key properties of 3-bromo-4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine?
3-bromo-4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 281.93 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 84715127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).