2-[(8-bromo-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol

C14H14BrN3O3 — CID 2010630

IUPAC2-[(8-bromo-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1ncnc2c1oc1ccc(Br)cc12
InChIInChI=1S/C14H14BrN3O3/c15-9-1-2-11-10(7-9)12-13(21-11)14(17-8-16-12)18(3-5-19)4-6-20/h1-2,7-8,19-20H,3-6H2
InChIKeyIHFHBYXCHNKVKR-UHFFFAOYSA-N
MW352.19 g/mol
LogP1.93
Rot. Bonds5

About 2-[(8-bromo-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol

2-[(8-bromo-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 2010630) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 2-[(8-bromo-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(8-bromo-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID2010630
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name2-[(8-bromo-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1ncnc2c1oc1ccc(Br)cc12
InChIInChI=1S/C14H14BrN3O3/c15-9-1-2-11-10(7-9)12-13(21-11)14(17-8-16-12)18(3-5-19)4-6-20/h1-2,7-8,19-20H,3-6H2
InChIKeyIHFHBYXCHNKVKR-UHFFFAOYSA-N
XLogP1.93
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-bromo-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(8-bromo-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (CID 2010630) is 2-[(8-bromo-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(8-bromo-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(8-bromo-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)c1ncnc2c1oc1ccc(Br)cc12.
What is the InChIKey of 2-[(8-bromo-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is IHFHBYXCHNKVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c15-9-1-2-11-10(7-9)12-13(21-11)14(17-8-16-12)18(3-5-19)4-6-20/h1-2,7-8,19-20H,3-6H2.
What are the key properties of 2-[(8-bromo-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(8-bromo-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 352.19 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-bromo-[1]benzofuro[3,2-d]pyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 2010630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).