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

C11H16FN3O — CID 103990092

IUPAC1-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
SMILESCc1ncnc(N2CCC(C(C)O)C2)c1F
InChIInChI=1S/C11H16FN3O/c1-7-10(12)11(14-6-13-7)15-4-3-9(5-15)8(2)16/h6,8-9,16H,3-5H2,1-2H3
InChIKeyRJAIPRUZBJBKRC-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.13
Rot. Bonds2

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

1-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol (PubChem CID 103990092) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
PubChem CID103990092
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name1-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
SMILESCc1ncnc(N2CCC(C(C)O)C2)c1F
InChIInChI=1S/C11H16FN3O/c1-7-10(12)11(14-6-13-7)15-4-3-9(5-15)8(2)16/h6,8-9,16H,3-5H2,1-2H3
InChIKeyRJAIPRUZBJBKRC-UHFFFAOYSA-N
XLogP1.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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 1-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol (CID 103990092) is 1-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol is Cc1ncnc(N2CCC(C(C)O)C2)c1F.
What is the InChIKey of 1-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is RJAIPRUZBJBKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7-10(12)11(14-6-13-7)15-4-3-9(5-15)8(2)16/h6,8-9,16H,3-5H2,1-2H3.
What are the key properties of 1-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
1-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 225.27 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 103990092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).