3,7-dibromo-2H-pyrazolo[4,3-d]pyrimidine

C5H2Br2N4 — CID 170900189

IUPAC3,7-dibromo-2H-pyrazolo[4,3-d]pyrimidine
SMILESBrc1ncnc2c(Br)[nH]nc12
InChIInChI=1S/C5H2Br2N4/c6-4-3-2(8-1-9-4)5(7)11-10-3/h1H,(H,10,11)
InChIKeyNUXDYNGOJDHZNG-UHFFFAOYSA-N
MW277.91 g/mol
LogP1.88
Rot. Bonds

About 3,7-dibromo-2H-pyrazolo[4,3-d]pyrimidine

3,7-dibromo-2H-pyrazolo[4,3-d]pyrimidine (PubChem CID 170900189) has the molecular formula C5H2Br2N4 and a molecular weight of 277.91 g/mol. Its IUPAC name is 3,7-dibromo-2H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name3,7-dibromo-2H-pyrazolo[4,3-d]pyrimidine
PubChem CID170900189
Molecular FormulaC5H2Br2N4
Molecular Weight277.91 g/mol
Exact Mass275.86
IUPAC Name3,7-dibromo-2H-pyrazolo[4,3-d]pyrimidine
SMILESBrc1ncnc2c(Br)[nH]nc12
InChIInChI=1S/C5H2Br2N4/c6-4-3-2(8-1-9-4)5(7)11-10-3/h1H,(H,10,11)
InChIKeyNUXDYNGOJDHZNG-UHFFFAOYSA-N
XLogP1.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.91
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5H-pyrrolo[3,2-d]pyrimidin-7-amine
CID 83680827
3,5-dibromo-2H-indazol-7-amine
CID 15896585
10-bromo-3,4,5,6,11,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene
CID 90481610
3-bromo-6-fluoro-7-methyl-2H-indazole
CID 114589294
1-(7-bromo-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)ethanamine
CID 82380283
2-(3-bromo-2H-indazol-7-yl)propan-2-ol
CID 84708467
1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine
CID 117449532
5,6-dibromopyrimidin-4-amine
CID 130067671
3,7-ditert-butyl-2H-pyrazolo[4,3-d]pyrimidine
CID 176799670
4-bromo-2H-triazolo[4,5-c]pyridine
CID 83681327
7-chloro-3-ethyl-2H-pyrazolo[4,3-d]pyrimidine
CID 87498025
3-bromo-6-methyl-7-nitro-2H-indazole
CID 74888863

Frequently Asked Questions

What is the IUPAC name of 3,7-dibromo-2H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 3,7-dibromo-2H-pyrazolo[4,3-d]pyrimidine (CID 170900189) is 3,7-dibromo-2H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 3,7-dibromo-2H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 3,7-dibromo-2H-pyrazolo[4,3-d]pyrimidine is Brc1ncnc2c(Br)[nH]nc12.
What is the InChIKey of 3,7-dibromo-2H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is NUXDYNGOJDHZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Br2N4/c6-4-3-2(8-1-9-4)5(7)11-10-3/h1H,(H,10,11).
What are the key properties of 3,7-dibromo-2H-pyrazolo[4,3-d]pyrimidine?
3,7-dibromo-2H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 277.91 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dibromo-2H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 170900189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).