2-[(5-bromopyrimidin-2-yl)-pentan-3-ylamino]ethanol

C11H18BrN3O — CID 55251383

IUPAC2-[(5-bromopyrimidin-2-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1ncc(Br)cn1
InChIInChI=1S/C11H18BrN3O/c1-3-10(4-2)15(5-6-16)11-13-7-9(12)8-14-11/h7-8,10,16H,3-6H2,1-2H3
InChIKeyBIWGLIVVFXWUDZ-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.23
Rot. Bonds6

About 2-[(5-bromopyrimidin-2-yl)-pentan-3-ylamino]ethanol

2-[(5-bromopyrimidin-2-yl)-pentan-3-ylamino]ethanol (PubChem CID 55251383) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-[(5-bromopyrimidin-2-yl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(5-bromopyrimidin-2-yl)-pentan-3-ylamino]ethanol
PubChem CID55251383
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name2-[(5-bromopyrimidin-2-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1ncc(Br)cn1
InChIInChI=1S/C11H18BrN3O/c1-3-10(4-2)15(5-6-16)11-13-7-9(12)8-14-11/h7-8,10,16H,3-6H2,1-2H3
InChIKeyBIWGLIVVFXWUDZ-UHFFFAOYSA-N
XLogP2.23
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-N-pentan-3-ylpyrimidin-2-amine
CID 80680520
N'-(5-methylpyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 63759067
2-[[2-(dimethylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 64829120
2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol
CID 62131662
2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol
CID 80630615
2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol
CID 106550364
2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811446
2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 55229696
6-[2-hydroxyethyl(pentan-3-yl)amino]pyridine-3-carbothioamide
CID 54998874
2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80752118
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811048
5-bromo-N-ethyl-N-(2-ethylbutyl)pyrimidin-2-amine
CID 63873425

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyrimidin-2-yl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(5-bromopyrimidin-2-yl)-pentan-3-ylamino]ethanol (CID 55251383) is 2-[(5-bromopyrimidin-2-yl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(5-bromopyrimidin-2-yl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(5-bromopyrimidin-2-yl)-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1ncc(Br)cn1.
What is the InChIKey of 2-[(5-bromopyrimidin-2-yl)-pentan-3-ylamino]ethanol?
The InChIKey is BIWGLIVVFXWUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-3-10(4-2)15(5-6-16)11-13-7-9(12)8-14-11/h7-8,10,16H,3-6H2,1-2H3.
What are the key properties of 2-[(5-bromopyrimidin-2-yl)-pentan-3-ylamino]ethanol?
2-[(5-bromopyrimidin-2-yl)-pentan-3-ylamino]ethanol has a molecular weight of 288.19 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyrimidin-2-yl)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 55251383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).