5-bromo-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine

C8H8BrN3O — CID 71299223

IUPAC5-bromo-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCOc1ncnc2c1c(Br)cn2C
InChIInChI=1S/C8H8BrN3O/c1-12-3-5(9)6-7(12)10-4-11-8(6)13-2/h3-4H,1-2H3
InChIKeyIKFLTSHIUZFYDM-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.74
Rot. Bonds1

About 5-bromo-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine

5-bromo-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 71299223) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is 5-bromo-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine
PubChem CID71299223
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name5-bromo-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCOc1ncnc2c1c(Br)cn2C
InChIInChI=1S/C8H8BrN3O/c1-12-3-5(9)6-7(12)10-4-11-8(6)13-2/h3-4H,1-2H3
InChIKeyIKFLTSHIUZFYDM-UHFFFAOYSA-N
XLogP1.74
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-bromo-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine (CID 71299223) is 5-bromo-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-bromo-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-bromo-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine is COc1ncnc2c1c(Br)cn2C.
What is the InChIKey of 5-bromo-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is IKFLTSHIUZFYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O/c1-12-3-5(9)6-7(12)10-4-11-8(6)13-2/h3-4H,1-2H3.
What are the key properties of 5-bromo-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine?
5-bromo-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 242.08 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-7-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 71299223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).