4-bromo-1H-pyrazolo[5,4-d]pyrimidine

C5H3BrN4 — CID 12778939

IUPAC4-bromo-1H-pyrazolo[5,4-d]pyrimidine
SMILESBrc1ncnc2[nH]ncc12
InChIInChI=1S/C5H3BrN4/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H,7,8,9,10)
InChIKeyHOMHDMLNECTTGL-UHFFFAOYSA-N
MW199.01 g/mol
LogP1.12
Rot. Bonds

About 4-bromo-1H-pyrazolo[5,4-d]pyrimidine

4-bromo-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 12778939) has the molecular formula C5H3BrN4 and a molecular weight of 199.01 g/mol. Its IUPAC name is 4-bromo-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-bromo-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID12778939
Molecular FormulaC5H3BrN4
Molecular Weight199.01 g/mol
Exact Mass197.95
IUPAC Name4-bromo-1H-pyrazolo[5,4-d]pyrimidine
SMILESBrc1ncnc2[nH]ncc12
InChIInChI=1S/C5H3BrN4/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H,7,8,9,10)
InChIKeyHOMHDMLNECTTGL-UHFFFAOYSA-N
XLogP1.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.01
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazolo[3,4-d]pyrimidin-4-amine
CID 75420
Allopurinol Sodium
CID 23662349
1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 94753
N,N-Dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221159
n-Methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221158
4-Chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 221095
3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine
CID 340230
N-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221086
4-N,6-N-dimethyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223696
3-Bromo-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 340228
4-Hydrazinyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 219785
4-chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11789625

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-bromo-1H-pyrazolo[5,4-d]pyrimidine (CID 12778939) is 4-bromo-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-bromo-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-bromo-1H-pyrazolo[5,4-d]pyrimidine is Brc1ncnc2[nH]ncc12.
What is the InChIKey of 4-bromo-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is HOMHDMLNECTTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN4/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H,7,8,9,10).
What are the key properties of 4-bromo-1H-pyrazolo[5,4-d]pyrimidine?
4-bromo-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 199.01 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 12778939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).