2-amino-2-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)ethanol

C12H18N4O — CID 83841700

IUPAC2-amino-2-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)ethanol
SMILESCC(C)(C)c1nc2ncccn2c1C(N)CO
InChIInChI=1S/C12H18N4O/c1-12(2,3)10-9(8(13)7-17)16-6-4-5-14-11(16)15-10/h4-6,8,17H,7,13H2,1-3H3
InChIKeyXYUVHJCXWBIUES-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.02
Rot. Bonds2

About 2-amino-2-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)ethanol

2-amino-2-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)ethanol (PubChem CID 83841700) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-amino-2-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)ethanol
PubChem CID83841700
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-amino-2-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)ethanol
SMILESCC(C)(C)c1nc2ncccn2c1C(N)CO
InChIInChI=1S/C12H18N4O/c1-12(2,3)10-9(8(13)7-17)16-6-4-5-14-11(16)15-10/h4-6,8,17H,7,13H2,1-3H3
InChIKeyXYUVHJCXWBIUES-UHFFFAOYSA-N
XLogP1.02
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)ethanol?
The IUPAC name of 2-amino-2-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)ethanol (CID 83841700) is 2-amino-2-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)ethanol.
What is the SMILES notation for 2-amino-2-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)ethanol?
The canonical SMILES for 2-amino-2-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)ethanol is CC(C)(C)c1nc2ncccn2c1C(N)CO.
What is the InChIKey of 2-amino-2-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)ethanol?
The InChIKey is XYUVHJCXWBIUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-12(2,3)10-9(8(13)7-17)16-6-4-5-14-11(16)15-10/h4-6,8,17H,7,13H2,1-3H3.
What are the key properties of 2-amino-2-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)ethanol?
2-amino-2-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)ethanol has a molecular weight of 234.30 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-tert-butylimidazo[1,2-a]pyrimidin-3-yl)ethanol is sourced from PubChem (CID 83841700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).