2-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol

C11H16FN3O — CID 103703757

IUPAC2-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
SMILESCc1ncnc(N2CCC(CCO)C2)c1F
InChIInChI=1S/C11H16FN3O/c1-8-10(12)11(14-7-13-8)15-4-2-9(6-15)3-5-16/h7,9,16H,2-6H2,1H3
InChIKeyVHDVQXHONUBJBY-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.13
Rot. Bonds3

About 2-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol

2-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol (PubChem CID 103703757) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
PubChem CID103703757
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
SMILESCc1ncnc(N2CCC(CCO)C2)c1F
InChIInChI=1S/C11H16FN3O/c1-8-10(12)11(14-7-13-8)15-4-2-9(6-15)3-5-16/h7,9,16H,2-6H2,1H3
InChIKeyVHDVQXHONUBJBY-UHFFFAOYSA-N
XLogP1.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol (CID 103703757) is 2-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol is Cc1ncnc(N2CCC(CCO)C2)c1F.
What is the InChIKey of 2-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is VHDVQXHONUBJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-8-10(12)11(14-7-13-8)15-4-2-9(6-15)3-5-16/h7,9,16H,2-6H2,1H3.
What are the key properties of 2-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
2-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 225.27 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 103703757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).