2-[(6-bromoquinazolin-4-yl)amino]ethanol

C10H10BrN3O — CID 647709

IUPAC2-[(6-bromoquinazolin-4-yl)amino]ethanol
SMILESOCCNc1ncnc2ccc(Br)cc12
InChIInChI=1S/C10H10BrN3O/c11-7-1-2-9-8(5-7)10(12-3-4-15)14-6-13-9/h1-2,5-6,15H,3-4H2,(H,12,13,14)
InChIKeyBUYXDOBAKHYWFG-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.80
Rot. Bonds3

About 2-[(6-bromoquinazolin-4-yl)amino]ethanol

2-[(6-bromoquinazolin-4-yl)amino]ethanol (PubChem CID 647709) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-[(6-bromoquinazolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-bromoquinazolin-4-yl)amino]ethanol
PubChem CID647709
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name2-[(6-bromoquinazolin-4-yl)amino]ethanol
SMILESOCCNc1ncnc2ccc(Br)cc12
InChIInChI=1S/C10H10BrN3O/c11-7-1-2-9-8(5-7)10(12-3-4-15)14-6-13-9/h1-2,5-6,15H,3-4H2,(H,12,13,14)
InChIKeyBUYXDOBAKHYWFG-UHFFFAOYSA-N
XLogP1.80
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromoquinazolin-4-yl)amino]ethanol?
The IUPAC name of 2-[(6-bromoquinazolin-4-yl)amino]ethanol (CID 647709) is 2-[(6-bromoquinazolin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(6-bromoquinazolin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(6-bromoquinazolin-4-yl)amino]ethanol is OCCNc1ncnc2ccc(Br)cc12.
What is the InChIKey of 2-[(6-bromoquinazolin-4-yl)amino]ethanol?
The InChIKey is BUYXDOBAKHYWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c11-7-1-2-9-8(5-7)10(12-3-4-15)14-6-13-9/h1-2,5-6,15H,3-4H2,(H,12,13,14).
What are the key properties of 2-[(6-bromoquinazolin-4-yl)amino]ethanol?
2-[(6-bromoquinazolin-4-yl)amino]ethanol has a molecular weight of 268.11 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromoquinazolin-4-yl)amino]ethanol is sourced from PubChem (CID 647709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).