9-bromopurine

C5H3BrN4 — CID 91356605

IUPAC9-bromopurine
SMILESBrn1cnc2cncnc21
InChIInChI=1S/C5H3BrN4/c6-10-3-9-4-1-7-2-8-5(4)10/h1-3H
InChIKeyRIDRVWIEDYVCEP-UHFFFAOYSA-N
MW199.01 g/mol
LogP0.98
Rot. Bonds

About 9-bromopurine

9-bromopurine (PubChem CID 91356605) has the molecular formula C5H3BrN4 and a molecular weight of 199.01 g/mol. Its IUPAC name is 9-bromopurine.

Molecular Properties

Compound Name9-bromopurine
PubChem CID91356605
Molecular FormulaC5H3BrN4
Molecular Weight199.01 g/mol
Exact Mass197.95
IUPAC Name9-bromopurine
SMILESBrn1cnc2cncnc21
InChIInChI=1S/C5H3BrN4/c6-10-3-9-4-1-7-2-8-5(4)10/h1-3H
InChIKeyRIDRVWIEDYVCEP-UHFFFAOYSA-N
XLogP0.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.01
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-bromopurine?
The IUPAC name of 9-bromopurine (CID 91356605) is 9-bromopurine.
What is the SMILES notation for 9-bromopurine?
The canonical SMILES for 9-bromopurine is Brn1cnc2cncnc21.
What is the InChIKey of 9-bromopurine?
The InChIKey is RIDRVWIEDYVCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN4/c6-10-3-9-4-1-7-2-8-5(4)10/h1-3H.
What are the key properties of 9-bromopurine?
9-bromopurine has a molecular weight of 199.01 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromopurine is sourced from PubChem (CID 91356605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).