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

C11H15N5OS — CID 45211383

IUPAC1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol
SMILESCSc1nccc(NCC(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)
InChIKeyCRPILFHPBNCATP-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.08
Rot. Bonds5

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

1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol (PubChem CID 45211383) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol
PubChem CID45211383
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol
SMILESCSc1nccc(NCC(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)
InChIKeyCRPILFHPBNCATP-UHFFFAOYSA-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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Related Compounds

N~4~-methyl-N~2~-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}pyrimidine-2,4-diamine
CID 50950039
N-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}-6-morpholin-4-ylpyrimidin-4-amine
CID 50967432
2-{2-[2-(propylthio)pyrimidin-5-yl]-1H-imidazol-1-yl}ethanol
CID 56759157
2-[2-Hydroxyethyl-(2-imidazol-1-ylpyrimidin-4-yl)amino]ethanol
CID 172440763
2-[2-Hydroxyethyl-[4-(2-propylimidazol-1-yl)pyrimidin-2-yl]amino]ethanol
CID 172447972
2-[2-Hydroxyethyl-[2-(2-propylimidazol-1-yl)pyrimidin-4-yl]amino]ethanol
CID 172449665
2-[[4-(2-Ethylimidazol-1-yl)pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethanol
CID 172458283
2-[[2-(2-Ethylimidazol-1-yl)pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
CID 172461149
2-[2-Hydroxyethyl-[2-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethanol
CID 172465795
2-[2-Hydroxyethyl-[2-(2-propan-2-ylimidazol-1-yl)pyrimidin-4-yl]amino]ethanol
CID 172465951
2-[2-Hydroxyethyl-[4-(2-methylimidazol-1-yl)pyrimidin-2-yl]amino]ethanol
CID 172467152
2-[2-Hydroxyethyl-(4-imidazol-1-ylpyrimidin-2-yl)amino]ethanol
CID 172470559

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol (CID 45211383) is 1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol is CSc1nccc(NCC(O)c2nccn2C)n1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol?
The InChIKey is CRPILFHPBNCATP-UHFFFAOYSA-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).
What are the key properties of 1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol?
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 1-(1-methylimidazol-2-yl)-2-[(2-methylsulfanylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 45211383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).