2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol

C8H12BrN3O — CID 66341302

IUPAC2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1ncncc1Br
InChIInChI=1S/C8H12BrN3O/c1-2-12(3-4-13)8-7(9)5-10-6-11-8/h5-6,13H,2-4H2,1H3
InChIKeyFHBZAKYRIPUFFN-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.06
Rot. Bonds4

About 2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol

2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol (PubChem CID 66341302) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol
PubChem CID66341302
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1ncncc1Br
InChIInChI=1S/C8H12BrN3O/c1-2-12(3-4-13)8-7(9)5-10-6-11-8/h5-6,13H,2-4H2,1H3
InChIKeyFHBZAKYRIPUFFN-UHFFFAOYSA-N
XLogP1.06
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol?
The IUPAC name of 2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol (CID 66341302) is 2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol is CCN(CCO)c1ncncc1Br.
What is the InChIKey of 2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol?
The InChIKey is FHBZAKYRIPUFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-2-12(3-4-13)8-7(9)5-10-6-11-8/h5-6,13H,2-4H2,1H3.
What are the key properties of 2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol?
2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol has a molecular weight of 246.11 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyrimidin-4-yl)-ethylamino]ethanol is sourced from PubChem (CID 66341302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).