2-[(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)amino]ethanol

C10H13N5OS — CID 142040034

IUPAC2-[(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)amino]ethanol
SMILESCSc1nc(NCCO)cc(-n2ccnc2)n1
InChIInChI=1S/C10H13N5OS/c1-17-10-13-8(12-3-5-16)6-9(14-10)15-4-2-11-7-15/h2,4,6-7,16H,3,5H2,1H3,(H,12,13,14)
InChIKeyOQFQZIQONNNRJC-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.79
Rot. Bonds5

About 2-[(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)amino]ethanol

2-[(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)amino]ethanol (PubChem CID 142040034) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-[(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)amino]ethanol
PubChem CID142040034
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2-[(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)amino]ethanol
SMILESCSc1nc(NCCO)cc(-n2ccnc2)n1
InChIInChI=1S/C10H13N5OS/c1-17-10-13-8(12-3-5-16)6-9(14-10)15-4-2-11-7-15/h2,4,6-7,16H,3,5H2,1H3,(H,12,13,14)
InChIKeyOQFQZIQONNNRJC-UHFFFAOYSA-N
XLogP0.79
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)amino]ethanol (CID 142040034) is 2-[(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)amino]ethanol is CSc1nc(NCCO)cc(-n2ccnc2)n1.
What is the InChIKey of 2-[(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)amino]ethanol?
The InChIKey is OQFQZIQONNNRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-17-10-13-8(12-3-5-16)6-9(14-10)15-4-2-11-7-15/h2,4,6-7,16H,3,5H2,1H3,(H,12,13,14).
What are the key properties of 2-[(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)amino]ethanol?
2-[(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)amino]ethanol has a molecular weight of 251.31 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 142040034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).