2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-ethylamino]ethanol

C9H14ClN3OS — CID 1481939

IUPAC2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1cc(Cl)nc(SC)n1
InChIInChI=1S/C9H14ClN3OS/c1-3-13(4-5-14)8-6-7(10)11-9(12-8)15-2/h6,14H,3-5H2,1-2H3
InChIKeyGJDIIHYQCOKNHP-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.67
Rot. Bonds5

About 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-ethylamino]ethanol

2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-ethylamino]ethanol (PubChem CID 1481939) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-ethylamino]ethanol
PubChem CID1481939
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC Name2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1cc(Cl)nc(SC)n1
InChIInChI=1S/C9H14ClN3OS/c1-3-13(4-5-14)8-6-7(10)11-9(12-8)15-2/h6,14H,3-5H2,1-2H3
InChIKeyGJDIIHYQCOKNHP-UHFFFAOYSA-N
XLogP1.67
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-ethylamino]ethanol?
The IUPAC name of 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-ethylamino]ethanol (CID 1481939) is 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-ethylamino]ethanol is CCN(CCO)c1cc(Cl)nc(SC)n1.
What is the InChIKey of 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-ethylamino]ethanol?
The InChIKey is GJDIIHYQCOKNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3OS/c1-3-13(4-5-14)8-6-7(10)11-9(12-8)15-2/h6,14H,3-5H2,1-2H3.
What are the key properties of 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-ethylamino]ethanol?
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-ethylamino]ethanol has a molecular weight of 247.75 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-ethylamino]ethanol is sourced from PubChem (CID 1481939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).