5-bromo-4-[2-(4-fluorophenyl)ethyl]-7-methylpyrrolo[2,3-d]pyrimidine

C15H13BrFN3 — CID 84609756

IUPAC5-bromo-4-[2-(4-fluorophenyl)ethyl]-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCn1cc(Br)c2c(CCc3ccc(F)cc3)ncnc21
InChIInChI=1S/C15H13BrFN3/c1-20-8-12(16)14-13(18-9-19-15(14)20)7-4-10-2-5-11(17)6-3-10/h2-3,5-6,8-9H,4,7H2,1H3
InChIKeyKZAYXPOAPJSKQM-UHFFFAOYSA-N
MW334.19 g/mol
LogP3.66
Rot. Bonds3

About 5-bromo-4-[2-(4-fluorophenyl)ethyl]-7-methylpyrrolo[2,3-d]pyrimidine

5-bromo-4-[2-(4-fluorophenyl)ethyl]-7-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 84609756) has the molecular formula C15H13BrFN3 and a molecular weight of 334.19 g/mol. Its IUPAC name is 5-bromo-4-[2-(4-fluorophenyl)ethyl]-7-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-[2-(4-fluorophenyl)ethyl]-7-methylpyrrolo[2,3-d]pyrimidine
PubChem CID84609756
Molecular FormulaC15H13BrFN3
Molecular Weight334.19 g/mol
Exact Mass333.03
IUPAC Name5-bromo-4-[2-(4-fluorophenyl)ethyl]-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCn1cc(Br)c2c(CCc3ccc(F)cc3)ncnc21
InChIInChI=1S/C15H13BrFN3/c1-20-8-12(16)14-13(18-9-19-15(14)20)7-4-10-2-5-11(17)6-3-10/h2-3,5-6,8-9H,4,7H2,1H3
InChIKeyKZAYXPOAPJSKQM-UHFFFAOYSA-N
XLogP3.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(4-fluorophenyl)ethyl]-7-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-bromo-4-[2-(4-fluorophenyl)ethyl]-7-methylpyrrolo[2,3-d]pyrimidine (CID 84609756) is 5-bromo-4-[2-(4-fluorophenyl)ethyl]-7-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-bromo-4-[2-(4-fluorophenyl)ethyl]-7-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-bromo-4-[2-(4-fluorophenyl)ethyl]-7-methylpyrrolo[2,3-d]pyrimidine is Cn1cc(Br)c2c(CCc3ccc(F)cc3)ncnc21.
What is the InChIKey of 5-bromo-4-[2-(4-fluorophenyl)ethyl]-7-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is KZAYXPOAPJSKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3/c1-20-8-12(16)14-13(18-9-19-15(14)20)7-4-10-2-5-11(17)6-3-10/h2-3,5-6,8-9H,4,7H2,1H3.
What are the key properties of 5-bromo-4-[2-(4-fluorophenyl)ethyl]-7-methylpyrrolo[2,3-d]pyrimidine?
5-bromo-4-[2-(4-fluorophenyl)ethyl]-7-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 334.19 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(4-fluorophenyl)ethyl]-7-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 84609756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).