2-(4-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine

C13H9BrClN3 — CID 84605238

IUPAC2-(4-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1nc(-c2ccc(Br)cc2)nc2[nH]c(Cl)cc12
InChIInChI=1S/C13H9BrClN3/c1-7-10-6-11(15)17-13(10)18-12(16-7)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,16,17,18)
InChIKeyHJKWLKGVKWAYAL-UHFFFAOYSA-N
MW322.59 g/mol
LogP4.35
Rot. Bonds1

About 2-(4-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine

2-(4-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 84605238) has the molecular formula C13H9BrClN3 and a molecular weight of 322.59 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID84605238
Molecular FormulaC13H9BrClN3
Molecular Weight322.59 g/mol
Exact Mass320.97
IUPAC Name2-(4-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1nc(-c2ccc(Br)cc2)nc2[nH]c(Cl)cc12
InChIInChI=1S/C13H9BrClN3/c1-7-10-6-11(15)17-13(10)18-12(16-7)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,16,17,18)
InChIKeyHJKWLKGVKWAYAL-UHFFFAOYSA-N
XLogP4.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 84605237
2-(4-bromophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
CID 66000623
2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine
CID 63613484
2-(4-bromophenyl)-N-(5-ethyl-4-methyl-1H-pyrrol-2-yl)quinazolin-4-amine
CID 163767596
2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 63486623
2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine
CID 43557541
[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 62250495
2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 63612334
2-(4-bromophenyl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid
CID 16776763
2-chloro-4,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 166133254
2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 113337298
5-bromo-2-(4-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
CID 66306418

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-(4-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine (CID 84605238) is 2-(4-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine is Cc1nc(-c2ccc(Br)cc2)nc2[nH]c(Cl)cc12.
What is the InChIKey of 2-(4-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is HJKWLKGVKWAYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3/c1-7-10-6-11(15)17-13(10)18-12(16-7)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,16,17,18).
What are the key properties of 2-(4-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine?
2-(4-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 322.59 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 84605238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).