4-bromo-1-methylpyrazolo[5,4-d]pyrimidine

C6H5BrN4 — CID 12778940

IUPAC4-bromo-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(Br)ncnc21
InChIInChI=1S/C6H5BrN4/c1-11-6-4(2-10-11)5(7)8-3-9-6/h2-3H,1H3
InChIKeyPJEJZRCZVOPFOD-UHFFFAOYSA-N
MW213.04 g/mol
LogP1.13
Rot. Bonds

About 4-bromo-1-methylpyrazolo[5,4-d]pyrimidine

4-bromo-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 12778940) has the molecular formula C6H5BrN4 and a molecular weight of 213.04 g/mol. Its IUPAC name is 4-bromo-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-bromo-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID12778940
Molecular FormulaC6H5BrN4
Molecular Weight213.04 g/mol
Exact Mass211.97
IUPAC Name4-bromo-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(Br)ncnc21
InChIInChI=1S/C6H5BrN4/c1-11-6-4(2-10-11)5(7)8-3-9-6/h2-3H,1H3
InChIKeyPJEJZRCZVOPFOD-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

1H-Pyrazolo[3,4-d]pyrimidin-4-amine
CID 75420
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
3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine
CID 340230
N-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219754
1-Methyl-4-(4-methylpiperazinyl)pyrazolo[5,4-d]pyrimidine
CID 2808976
4-chloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine
CID 219751
1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24864305
4-Hydrazinyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 219785
6-Bromo-[1,2,4]triazolo[1,5-a]pyrimidine
CID 15866980
6-Chloro-n,1-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 220780

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-bromo-1-methylpyrazolo[5,4-d]pyrimidine (CID 12778940) is 4-bromo-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-bromo-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-bromo-1-methylpyrazolo[5,4-d]pyrimidine is Cn1ncc2c(Br)ncnc21.
What is the InChIKey of 4-bromo-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is PJEJZRCZVOPFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4/c1-11-6-4(2-10-11)5(7)8-3-9-6/h2-3H,1H3.
What are the key properties of 4-bromo-1-methylpyrazolo[5,4-d]pyrimidine?
4-bromo-1-methylpyrazolo[5,4-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 4-bromo-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 12778940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).