2-[2-(6-amino-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)ethoxy]ethanol

C15H17N5O2S — CID 67619633

IUPAC2-[2-(6-amino-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)ethoxy]ethanol
SMILESNc1nc(-n2ccnc2)nc(CCOCCO)c1-c1cccs1
InChIInChI=1S/C15H17N5O2S/c16-14-13(12-2-1-9-23-12)11(3-7-22-8-6-21)18-15(19-14)20-5-4-17-10-20/h1-2,4-5,9-10,21H,3,6-8H2,(H2,16,18,19)
InChIKeyKIENUZLCJVIMNJ-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.52
Rot. Bonds7

About 2-[2-(6-amino-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)ethoxy]ethanol

2-[2-(6-amino-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)ethoxy]ethanol (PubChem CID 67619633) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-[2-(6-amino-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(6-amino-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)ethoxy]ethanol
PubChem CID67619633
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name2-[2-(6-amino-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)ethoxy]ethanol
SMILESNc1nc(-n2ccnc2)nc(CCOCCO)c1-c1cccs1
InChIInChI=1S/C15H17N5O2S/c16-14-13(12-2-1-9-23-12)11(3-7-22-8-6-21)18-15(19-14)20-5-4-17-10-20/h1-2,4-5,9-10,21H,3,6-8H2,(H2,16,18,19)
InChIKeyKIENUZLCJVIMNJ-UHFFFAOYSA-N
XLogP1.52
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-amino-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(6-amino-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)ethoxy]ethanol (CID 67619633) is 2-[2-(6-amino-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(6-amino-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(6-amino-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)ethoxy]ethanol is Nc1nc(-n2ccnc2)nc(CCOCCO)c1-c1cccs1.
What is the InChIKey of 2-[2-(6-amino-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)ethoxy]ethanol?
The InChIKey is KIENUZLCJVIMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c16-14-13(12-2-1-9-23-12)11(3-7-22-8-6-21)18-15(19-14)20-5-4-17-10-20/h1-2,4-5,9-10,21H,3,6-8H2,(H2,16,18,19).
What are the key properties of 2-[2-(6-amino-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)ethoxy]ethanol?
2-[2-(6-amino-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)ethoxy]ethanol has a molecular weight of 331.40 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-amino-2-imidazol-1-yl-5-thiophen-2-ylpyrimidin-4-yl)ethoxy]ethanol is sourced from PubChem (CID 67619633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).