(1R)-1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol

C11H15N5OS — CID 92861413

IUPAC(1R)-1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol
SMILESCSc1nccc(NC[C@@H](O)c2nccn2C)n1
InChIInChI=1S/C11H15N5OS/c1-16-6-5-12-10(16)8(17)7-14-9-3-4-13-11(15-9)18-2/h3-6,8,17H,7H2,1-2H3,(H,13,14,15)/t8-/m1/s1
InChIKeyCRPILFHPBNCATP-MRVPVSSYSA-N
MW265.34 g/mol
LogP1.08
Rot. Bonds5

About (1R)-1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol

(1R)-1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol (PubChem CID 92861413) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is (1R)-1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol
PubChem CID92861413
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name(1R)-1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol
SMILESCSc1nccc(NC[C@@H](O)c2nccn2C)n1
InChIInChI=1S/C11H15N5OS/c1-16-6-5-12-10(16)8(17)7-14-9-3-4-13-11(15-9)18-2/h3-6,8,17H,7H2,1-2H3,(H,13,14,15)/t8-/m1/s1
InChIKeyCRPILFHPBNCATP-MRVPVSSYSA-N
XLogP1.08
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of (1R)-1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol (CID 92861413) is (1R)-1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for (1R)-1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for (1R)-1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol is CSc1nccc(NC[C@@H](O)c2nccn2C)n1.
What is the InChIKey of (1R)-1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol?
The InChIKey is CRPILFHPBNCATP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-16-6-5-12-10(16)8(17)7-14-9-3-4-13-11(15-9)18-2/h3-6,8,17H,7H2,1-2H3,(H,13,14,15)/t8-/m1/s1.
What are the key properties of (1R)-1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol?
(1R)-1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol has a molecular weight of 265.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 92861413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).