6-bromo-4-chloro-2,7-dimethylpyrrolo[2,3-d]pyrimidine

C8H7BrClN3 — CID 155686492

IUPAC6-bromo-4-chloro-2,7-dimethylpyrrolo[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2cc(Br)n(C)c2n1
InChIInChI=1S/C8H7BrClN3/c1-4-11-7(10)5-3-6(9)13(2)8(5)12-4/h3H,1-2H3
InChIKeyYKYVKWCDZDSXBF-UHFFFAOYSA-N
MW260.52 g/mol
LogP2.69
Rot. Bonds

About 6-bromo-4-chloro-2,7-dimethylpyrrolo[2,3-d]pyrimidine

6-bromo-4-chloro-2,7-dimethylpyrrolo[2,3-d]pyrimidine (PubChem CID 155686492) has the molecular formula C8H7BrClN3 and a molecular weight of 260.52 g/mol. Its IUPAC name is 6-bromo-4-chloro-2,7-dimethylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-bromo-4-chloro-2,7-dimethylpyrrolo[2,3-d]pyrimidine
PubChem CID155686492
Molecular FormulaC8H7BrClN3
Molecular Weight260.52 g/mol
Exact Mass258.95
IUPAC Name6-bromo-4-chloro-2,7-dimethylpyrrolo[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2cc(Br)n(C)c2n1
InChIInChI=1S/C8H7BrClN3/c1-4-11-7(10)5-3-6(9)13(2)8(5)12-4/h3H,1-2H3
InChIKeyYKYVKWCDZDSXBF-UHFFFAOYSA-N
XLogP2.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.52
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2,7-dimethylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-bromo-4-chloro-2,7-dimethylpyrrolo[2,3-d]pyrimidine (CID 155686492) is 6-bromo-4-chloro-2,7-dimethylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-bromo-4-chloro-2,7-dimethylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-bromo-4-chloro-2,7-dimethylpyrrolo[2,3-d]pyrimidine is Cc1nc(Cl)c2cc(Br)n(C)c2n1.
What is the InChIKey of 6-bromo-4-chloro-2,7-dimethylpyrrolo[2,3-d]pyrimidine?
The InChIKey is YKYVKWCDZDSXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN3/c1-4-11-7(10)5-3-6(9)13(2)8(5)12-4/h3H,1-2H3.
What are the key properties of 6-bromo-4-chloro-2,7-dimethylpyrrolo[2,3-d]pyrimidine?
6-bromo-4-chloro-2,7-dimethylpyrrolo[2,3-d]pyrimidine has a molecular weight of 260.52 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2,7-dimethylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 155686492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).