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

C6H5BrN4O — CID 615519

IUPAC3-bromo-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1ncnc2c(Br)[nH]nc12
InChIInChI=1S/C6H5BrN4O/c1-12-6-4-3(8-2-9-6)5(7)11-10-4/h2H,1H3,(H,10,11)
InChIKeyFLNKSCHUABLQNS-UHFFFAOYSA-N
MW229.04 g/mol
LogP1.12
Rot. Bonds1

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

3-bromo-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine (PubChem CID 615519) has the molecular formula C6H5BrN4O and a molecular weight of 229.04 g/mol. Its IUPAC name is 3-bromo-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine
PubChem CID615519
Molecular FormulaC6H5BrN4O
Molecular Weight229.04 g/mol
Exact Mass227.96
IUPAC Name3-bromo-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine
SMILESCOc1ncnc2c(Br)[nH]nc12
InChIInChI=1S/C6H5BrN4O/c1-12-6-4-3(8-2-9-6)5(7)11-10-4/h2H,1H3,(H,10,11)
InChIKeyFLNKSCHUABLQNS-UHFFFAOYSA-N
XLogP1.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.04
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine with MolForge

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Related Compounds

7-methoxy-1H-pyrazolo(4,3-d)pyrimidine
CID 83872447
5-chloro-3-fluoro-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine
CID 154606929
3-bromo-7-methoxy-2-[(2R)-oxan-2-yl]pyrazolo[4,3-d]pyrimidine
CID 139065523
3-Bromo-7-methoxy-1-[2-tetrahydropyranyl]pyrazolo[4,3-d]pyrimidine
CID 558926
3-Bromo-7-methoxy-2-(oxan-2-yl)pyrazolo[4,3-d]pyrimidine
CID 21976438
1H-Pyrazolo[4,3-d]pyrimidine, 3-bromo-7-methoxy-1,5-dimethyl-
CID 83901413
3-Methoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-amine
CID 88979202
5-ethynyl-3-methoxy-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 117711111
3,5-dimethoxy-1H-pyrazolo[4,3-d]pyrimidine
CID 124110662
Ethane;3-methoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-amine
CID 144284392
3,5-Dichloro-7-methoxy-1H-pyrazolo[4,3-d]pyrimidine
CID 154606700
5-chloro-3-iodo-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine
CID 178646023

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 3-bromo-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine (CID 615519) is 3-bromo-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 3-bromo-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 3-bromo-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine is COc1ncnc2c(Br)[nH]nc12.
What is the InChIKey of 3-bromo-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine?
The InChIKey is FLNKSCHUABLQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4O/c1-12-6-4-3(8-2-9-6)5(7)11-10-4/h2H,1H3,(H,10,11).
What are the key properties of 3-bromo-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine?
3-bromo-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine has a molecular weight of 229.04 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 615519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).