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

C6H5BrN4 — CID 82394293

IUPAC6-bromo-1-methylpyrazolo[3,4-d]pyrimidine
SMILESCn1ncc2cnc(Br)nc21
InChIInChI=1S/C6H5BrN4/c1-11-5-4(3-9-11)2-8-6(7)10-5/h2-3H,1H3
InChIKeyQZDJOGUXKBWRMU-UHFFFAOYSA-N
MW213.04 g/mol
LogP1.13
Rot. Bonds

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

6-bromo-1-methylpyrazolo[3,4-d]pyrimidine (PubChem CID 82394293) has the molecular formula C6H5BrN4 and a molecular weight of 213.04 g/mol. Its IUPAC name is 6-bromo-1-methylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-bromo-1-methylpyrazolo[3,4-d]pyrimidine
PubChem CID82394293
Molecular FormulaC6H5BrN4
Molecular Weight213.04 g/mol
Exact Mass211.97
IUPAC Name6-bromo-1-methylpyrazolo[3,4-d]pyrimidine
SMILESCn1ncc2cnc(Br)nc21
InChIInChI=1S/C6H5BrN4/c1-11-5-4(3-9-11)2-8-6(7)10-5/h2-3H,1H3
InChIKeyQZDJOGUXKBWRMU-UHFFFAOYSA-N
XLogP1.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylpyrazolo[3,4-c]pyridazine-5-carbonitrile
CID 154673893
(1R)-1-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanamine
CID 165403100
(1-methylpyrazolo[4,5-c]pyridin-6-yl)methanamine
CID 82596319
1-methylpyrazolo[3,4-b]pyridine-5-sulfonyl chloride
CID 71757018
1-methyl-5-propan-2-yloxypyrazolo[3,4-b]pyridine
CID 126563156
2-(1-methylpyrazolo[5,4-b]pyridin-5-yl)ethanamine
CID 19620145
1-methyl-N-(4-methylsulfinylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 172599837
4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenol
CID 139537130
5-bromo-3-propan-2-yltriazolo[4,5-d]pyrimidine
CID 83681354
1-(1-methylpyrazolo[5,4-b]pyridin-5-yl)propan-2-one
CID 83877089
6-bromo-2-methylphthalazin-1-one
CID 71562940
1-methyl-5-pyridin-3-ylpyrazolo[3,4-b]pyridine
CID 70543936

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-bromo-1-methylpyrazolo[3,4-d]pyrimidine (CID 82394293) is 6-bromo-1-methylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-bromo-1-methylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-bromo-1-methylpyrazolo[3,4-d]pyrimidine is Cn1ncc2cnc(Br)nc21.
What is the InChIKey of 6-bromo-1-methylpyrazolo[3,4-d]pyrimidine?
The InChIKey is QZDJOGUXKBWRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4/c1-11-5-4(3-9-11)2-8-6(7)10-5/h2-3H,1H3.
What are the key properties of 6-bromo-1-methylpyrazolo[3,4-d]pyrimidine?
6-bromo-1-methylpyrazolo[3,4-d]pyrimidine has a molecular weight of 213.04 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 82394293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).