4-[2-[(6-amino-8-bromo-9-ethylpurin-2-yl)amino]ethyl]phenol

C15H17BrN6O — CID 10150440

IUPAC4-[2-[(6-amino-8-bromo-9-ethylpurin-2-yl)amino]ethyl]phenol
SMILESCCn1c(Br)nc2c(N)nc(NCCc3ccc(O)cc3)nc21
InChIInChI=1S/C15H17BrN6O/c1-2-22-13-11(19-14(22)16)12(17)20-15(21-13)18-8-7-9-3-5-10(23)6-4-9/h3-6,23H,2,7-8H2,1H3,(H3,17,18,20,21)
InChIKeyRSTTXRFYQPHNCT-UHFFFAOYSA-N
MW377.25 g/mol
LogP2.55
Rot. Bonds5

About 4-[2-[(6-amino-8-bromo-9-ethylpurin-2-yl)amino]ethyl]phenol

4-[2-[(6-amino-8-bromo-9-ethylpurin-2-yl)amino]ethyl]phenol (PubChem CID 10150440) has the molecular formula C15H17BrN6O and a molecular weight of 377.25 g/mol. Its IUPAC name is 4-[2-[(6-amino-8-bromo-9-ethylpurin-2-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(6-amino-8-bromo-9-ethylpurin-2-yl)amino]ethyl]phenol
PubChem CID10150440
Molecular FormulaC15H17BrN6O
Molecular Weight377.25 g/mol
Exact Mass376.06
IUPAC Name4-[2-[(6-amino-8-bromo-9-ethylpurin-2-yl)amino]ethyl]phenol
SMILESCCn1c(Br)nc2c(N)nc(NCCc3ccc(O)cc3)nc21
InChIInChI=1S/C15H17BrN6O/c1-2-22-13-11(19-14(22)16)12(17)20-15(21-13)18-8-7-9-3-5-10(23)6-4-9/h3-6,23H,2,7-8H2,1H3,(H3,17,18,20,21)
InChIKeyRSTTXRFYQPHNCT-UHFFFAOYSA-N
XLogP2.55
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-amino-8-bromo-9-ethylpurin-2-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(6-amino-8-bromo-9-ethylpurin-2-yl)amino]ethyl]phenol (CID 10150440) is 4-[2-[(6-amino-8-bromo-9-ethylpurin-2-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(6-amino-8-bromo-9-ethylpurin-2-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(6-amino-8-bromo-9-ethylpurin-2-yl)amino]ethyl]phenol is CCn1c(Br)nc2c(N)nc(NCCc3ccc(O)cc3)nc21.
What is the InChIKey of 4-[2-[(6-amino-8-bromo-9-ethylpurin-2-yl)amino]ethyl]phenol?
The InChIKey is RSTTXRFYQPHNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN6O/c1-2-22-13-11(19-14(22)16)12(17)20-15(21-13)18-8-7-9-3-5-10(23)6-4-9/h3-6,23H,2,7-8H2,1H3,(H3,17,18,20,21).
What are the key properties of 4-[2-[(6-amino-8-bromo-9-ethylpurin-2-yl)amino]ethyl]phenol?
4-[2-[(6-amino-8-bromo-9-ethylpurin-2-yl)amino]ethyl]phenol has a molecular weight of 377.25 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-amino-8-bromo-9-ethylpurin-2-yl)amino]ethyl]phenol is sourced from PubChem (CID 10150440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).