5-bromo-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine

C14H12BrN3O2S — CID 130398357

IUPAC5-bromo-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
SMILESCc1ccc(S(=O)(=O)n2c(C)c(Br)c3cncnc32)cc1
InChIInChI=1S/C14H12BrN3O2S/c1-9-3-5-11(6-4-9)21(19,20)18-10(2)13(15)12-7-16-8-17-14(12)18/h3-8H,1-2H3
InChIKeyLFEHVMUNETVUOK-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.05
Rot. Bonds2

About 5-bromo-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine

5-bromo-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine (PubChem CID 130398357) has the molecular formula C14H12BrN3O2S and a molecular weight of 366.24 g/mol. Its IUPAC name is 5-bromo-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-bromo-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
PubChem CID130398357
Molecular FormulaC14H12BrN3O2S
Molecular Weight366.24 g/mol
Exact Mass364.98
IUPAC Name5-bromo-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
SMILESCc1ccc(S(=O)(=O)n2c(C)c(Br)c3cncnc32)cc1
InChIInChI=1S/C14H12BrN3O2S/c1-9-3-5-11(6-4-9)21(19,20)18-10(2)13(15)12-7-16-8-17-14(12)18/h3-8H,1-2H3
InChIKeyLFEHVMUNETVUOK-UHFFFAOYSA-N
XLogP3.05
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydrochloride
CID 175965023
2-bromo-6-methyl-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
CID 58557085
5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridine
CID 177130203
5-(5-fluoro-4-methylsulfonylpyrimidin-2-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
CID 130398343
4-bromo-5-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 137347373
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde
CID 175864006
6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine
CID 144813630
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine
CID 67078609
6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 90621137
4-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
CID 58691740
5-bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole
CID 10002663
5-bromo-1-(4-methylphenyl)sulfonyl-2-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridine
CID 177130136

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-bromo-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine (CID 130398357) is 5-bromo-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-bromo-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-bromo-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine is Cc1ccc(S(=O)(=O)n2c(C)c(Br)c3cncnc32)cc1.
What is the InChIKey of 5-bromo-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine?
The InChIKey is LFEHVMUNETVUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2S/c1-9-3-5-11(6-4-9)21(19,20)18-10(2)13(15)12-7-16-8-17-14(12)18/h3-8H,1-2H3.
What are the key properties of 5-bromo-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine?
5-bromo-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine has a molecular weight of 366.24 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 130398357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).