2-[[6-chloro-2-(1H-indazol-4-yl)-5-methylsulfanylpyrimidin-4-yl]amino]ethanol

C14H14ClN5OS — CID 88918888

IUPAC2-[[6-chloro-2-(1H-indazol-4-yl)-5-methylsulfanylpyrimidin-4-yl]amino]ethanol
SMILESCSc1c(Cl)nc(-c2cccc3[nH]ncc23)nc1NCCO
InChIInChI=1S/C14H14ClN5OS/c1-22-11-12(15)18-13(19-14(11)16-5-6-21)8-3-2-4-10-9(8)7-17-20-10/h2-4,7,21H,5-6H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyWOFSZUBMPOSLJG-UHFFFAOYSA-N
MW335.82 g/mol
LogP2.80
Rot. Bonds5

About 2-[[6-chloro-2-(1H-indazol-4-yl)-5-methylsulfanylpyrimidin-4-yl]amino]ethanol

2-[[6-chloro-2-(1H-indazol-4-yl)-5-methylsulfanylpyrimidin-4-yl]amino]ethanol (PubChem CID 88918888) has the molecular formula C14H14ClN5OS and a molecular weight of 335.82 g/mol. Its IUPAC name is 2-[[6-chloro-2-(1H-indazol-4-yl)-5-methylsulfanylpyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-chloro-2-(1H-indazol-4-yl)-5-methylsulfanylpyrimidin-4-yl]amino]ethanol
PubChem CID88918888
Molecular FormulaC14H14ClN5OS
Molecular Weight335.82 g/mol
Exact Mass335.06
IUPAC Name2-[[6-chloro-2-(1H-indazol-4-yl)-5-methylsulfanylpyrimidin-4-yl]amino]ethanol
SMILESCSc1c(Cl)nc(-c2cccc3[nH]ncc23)nc1NCCO
InChIInChI=1S/C14H14ClN5OS/c1-22-11-12(15)18-13(19-14(11)16-5-6-21)8-3-2-4-10-9(8)7-17-20-10/h2-4,7,21H,5-6H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyWOFSZUBMPOSLJG-UHFFFAOYSA-N
XLogP2.80
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(1H-indazol-4-yl)-5-methylsulfanylpyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-chloro-2-(1H-indazol-4-yl)-5-methylsulfanylpyrimidin-4-yl]amino]ethanol (CID 88918888) is 2-[[6-chloro-2-(1H-indazol-4-yl)-5-methylsulfanylpyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-chloro-2-(1H-indazol-4-yl)-5-methylsulfanylpyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-chloro-2-(1H-indazol-4-yl)-5-methylsulfanylpyrimidin-4-yl]amino]ethanol is CSc1c(Cl)nc(-c2cccc3[nH]ncc23)nc1NCCO.
What is the InChIKey of 2-[[6-chloro-2-(1H-indazol-4-yl)-5-methylsulfanylpyrimidin-4-yl]amino]ethanol?
The InChIKey is WOFSZUBMPOSLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5OS/c1-22-11-12(15)18-13(19-14(11)16-5-6-21)8-3-2-4-10-9(8)7-17-20-10/h2-4,7,21H,5-6H2,1H3,(H,17,20)(H,16,18,19).
What are the key properties of 2-[[6-chloro-2-(1H-indazol-4-yl)-5-methylsulfanylpyrimidin-4-yl]amino]ethanol?
2-[[6-chloro-2-(1H-indazol-4-yl)-5-methylsulfanylpyrimidin-4-yl]amino]ethanol has a molecular weight of 335.82 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(1H-indazol-4-yl)-5-methylsulfanylpyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 88918888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).