2-[6-fluoro-2-methyl-3-(2-methylpyrimidin-4-yl)-3H-inden-1-yl]ethanol

C17H17FN2O — CID 57069822

IUPAC2-[6-fluoro-2-methyl-3-(2-methylpyrimidin-4-yl)-3H-inden-1-yl]ethanol
SMILESCC1=C(CCO)c2cc(F)ccc2C1c1ccnc(C)n1
InChIInChI=1S/C17H17FN2O/c1-10-13(6-8-21)15-9-12(18)3-4-14(15)17(10)16-5-7-19-11(2)20-16/h3-5,7,9,17,21H,6,8H2,1-2H3
InChIKeyOOGFXPOESZOQCK-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.23
Rot. Bonds3

About 2-[6-fluoro-2-methyl-3-(2-methylpyrimidin-4-yl)-3H-inden-1-yl]ethanol

2-[6-fluoro-2-methyl-3-(2-methylpyrimidin-4-yl)-3H-inden-1-yl]ethanol (PubChem CID 57069822) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[6-fluoro-2-methyl-3-(2-methylpyrimidin-4-yl)-3H-inden-1-yl]ethanol.

Molecular Properties

Compound Name2-[6-fluoro-2-methyl-3-(2-methylpyrimidin-4-yl)-3H-inden-1-yl]ethanol
PubChem CID57069822
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name2-[6-fluoro-2-methyl-3-(2-methylpyrimidin-4-yl)-3H-inden-1-yl]ethanol
SMILESCC1=C(CCO)c2cc(F)ccc2C1c1ccnc(C)n1
InChIInChI=1S/C17H17FN2O/c1-10-13(6-8-21)15-9-12(18)3-4-14(15)17(10)16-5-7-19-11(2)20-16/h3-5,7,9,17,21H,6,8H2,1-2H3
InChIKeyOOGFXPOESZOQCK-UHFFFAOYSA-N
XLogP3.23
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-2-methyl-3-(2-methylpyrimidin-4-yl)-3H-inden-1-yl]ethanol?
The IUPAC name of 2-[6-fluoro-2-methyl-3-(2-methylpyrimidin-4-yl)-3H-inden-1-yl]ethanol (CID 57069822) is 2-[6-fluoro-2-methyl-3-(2-methylpyrimidin-4-yl)-3H-inden-1-yl]ethanol.
What is the SMILES notation for 2-[6-fluoro-2-methyl-3-(2-methylpyrimidin-4-yl)-3H-inden-1-yl]ethanol?
The canonical SMILES for 2-[6-fluoro-2-methyl-3-(2-methylpyrimidin-4-yl)-3H-inden-1-yl]ethanol is CC1=C(CCO)c2cc(F)ccc2C1c1ccnc(C)n1.
What is the InChIKey of 2-[6-fluoro-2-methyl-3-(2-methylpyrimidin-4-yl)-3H-inden-1-yl]ethanol?
The InChIKey is OOGFXPOESZOQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-10-13(6-8-21)15-9-12(18)3-4-14(15)17(10)16-5-7-19-11(2)20-16/h3-5,7,9,17,21H,6,8H2,1-2H3.
What are the key properties of 2-[6-fluoro-2-methyl-3-(2-methylpyrimidin-4-yl)-3H-inden-1-yl]ethanol?
2-[6-fluoro-2-methyl-3-(2-methylpyrimidin-4-yl)-3H-inden-1-yl]ethanol has a molecular weight of 284.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-2-methyl-3-(2-methylpyrimidin-4-yl)-3H-inden-1-yl]ethanol is sourced from PubChem (CID 57069822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).