3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

C5H5BrN6 — CID 615116

IUPAC3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESNc1nc(N)c2c(Br)[nH]nc2n1
InChIInChI=1S/C5H5BrN6/c6-2-1-3(7)9-5(8)10-4(1)12-11-2/h(H5,7,8,9,10,11,12)
InChIKeyFVOVQYNWRQMJNK-UHFFFAOYSA-N
MW229.04 g/mol
LogP0.28
Rot. Bonds

About 3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 615116) has the molecular formula C5H5BrN6 and a molecular weight of 229.04 g/mol. Its IUPAC name is 3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID615116
Molecular FormulaC5H5BrN6
Molecular Weight229.04 g/mol
Exact Mass227.98
IUPAC Name3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESNc1nc(N)c2c(Br)[nH]nc2n1
InChIInChI=1S/C5H5BrN6/c6-2-1-3(7)9-5(8)10-4(1)12-11-2/h(H5,7,8,9,10,11,12)
InChIKeyFVOVQYNWRQMJNK-UHFFFAOYSA-N
XLogP0.28
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.04
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine
CID 340230
3-Bromo-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 340228
3-Bromo-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 12778934
6-Amino-3-bromo-4-chloropyrazolo[3,4-D]pyrimidine
CID 51341934
3,4,6-trichloro-1H-pyrazolo(3,4-d)pyrimidine
CID 92133085
1H-Pyrazolo(3,4-d)pyrimidine, 3-bromo-4-hydrazinyl-1-methyl-
CID 50989012
3-bromo-4-chloro-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 122164349
1H-Pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 12036561
3-Bromo-1H-pyrazolo[3,4-d]pyrimidine
CID 53487991
3-bromo-4-pyrrolidin-1-yl-2H-pyrazolo[3,4-d]pyrimidine
CID 46253581
3-Bromo-N-(2,2-difluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 44122620
3-Chloro-1h-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 18451679

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 615116) is 3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is Nc1nc(N)c2c(Br)[nH]nc2n1.
What is the InChIKey of 3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is FVOVQYNWRQMJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN6/c6-2-1-3(7)9-5(8)10-4(1)12-11-2/h(H5,7,8,9,10,11,12).
What are the key properties of 3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine?
3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 229.04 g/mol, XLogP of 0.28, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 615116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).