(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine

C6H8FN3 — CID 55285341

IUPAC(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine
SMILESC[C@H](N)c1ncc(F)cn1
InChIInChI=1S/C6H8FN3/c1-4(8)6-9-2-5(7)3-10-6/h2-4H,8H2,1H3/t4-/m0/s1
InChIKeyAHCHUPFJXHQIRC-BYPYZUCNSA-N
MW141.15 g/mol
LogP0.64
Rot. Bonds1

About (1S)-1-(5-fluoropyrimidin-2-yl)ethanamine

(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine (PubChem CID 55285341) has the molecular formula C6H8FN3 and a molecular weight of 141.15 g/mol. Its IUPAC name is (1S)-1-(5-fluoropyrimidin-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine
PubChem CID55285341
Molecular FormulaC6H8FN3
Molecular Weight141.15 g/mol
Exact Mass141.07
IUPAC Name(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine
SMILESC[C@H](N)c1ncc(F)cn1
InChIInChI=1S/C6H8FN3/c1-4(8)6-9-2-5(7)3-10-6/h2-4H,8H2,1H3/t4-/m0/s1
InChIKeyAHCHUPFJXHQIRC-BYPYZUCNSA-N
XLogP0.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-fluoropyrimidin-2-yl)ethanamine?
The IUPAC name of (1S)-1-(5-fluoropyrimidin-2-yl)ethanamine (CID 55285341) is (1S)-1-(5-fluoropyrimidin-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-(5-fluoropyrimidin-2-yl)ethanamine?
The canonical SMILES for (1S)-1-(5-fluoropyrimidin-2-yl)ethanamine is C[C@H](N)c1ncc(F)cn1.
What is the InChIKey of (1S)-1-(5-fluoropyrimidin-2-yl)ethanamine?
The InChIKey is AHCHUPFJXHQIRC-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8FN3/c1-4(8)6-9-2-5(7)3-10-6/h2-4H,8H2,1H3/t4-/m0/s1.
What are the key properties of (1S)-1-(5-fluoropyrimidin-2-yl)ethanamine?
(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine has a molecular weight of 141.15 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-fluoropyrimidin-2-yl)ethanamine is sourced from PubChem (CID 55285341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).