(1R,5S)-3-(5-ethylpyrimidin-2-yl)-6-fluoro-3-azabicyclo[3.1.0]hexane

C11H14FN3 — CID 66837510

IUPAC(1R,5S)-3-(5-ethylpyrimidin-2-yl)-6-fluoro-3-azabicyclo[3.1.0]hexane
SMILESCCc1cnc(N2C[C@@H]3C(F)[C@@H]3C2)nc1
InChIInChI=1S/C11H14FN3/c1-2-7-3-13-11(14-4-7)15-5-8-9(6-15)10(8)12/h3-4,8-10H,2,5-6H2,1H3/t8-,9+,10?
InChIKeySWDLLXPEPTUKSN-ULKQDVFKSA-N
MW207.25 g/mol
LogP1.44
Rot. Bonds2

About (1R,5S)-3-(5-ethylpyrimidin-2-yl)-6-fluoro-3-azabicyclo[3.1.0]hexane

(1R,5S)-3-(5-ethylpyrimidin-2-yl)-6-fluoro-3-azabicyclo[3.1.0]hexane (PubChem CID 66837510) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is (1R,5S)-3-(5-ethylpyrimidin-2-yl)-6-fluoro-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S)-3-(5-ethylpyrimidin-2-yl)-6-fluoro-3-azabicyclo[3.1.0]hexane
PubChem CID66837510
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name(1R,5S)-3-(5-ethylpyrimidin-2-yl)-6-fluoro-3-azabicyclo[3.1.0]hexane
SMILESCCc1cnc(N2C[C@@H]3C(F)[C@@H]3C2)nc1
InChIInChI=1S/C11H14FN3/c1-2-7-3-13-11(14-4-7)15-5-8-9(6-15)10(8)12/h3-4,8-10H,2,5-6H2,1H3/t8-,9+,10?
InChIKeySWDLLXPEPTUKSN-ULKQDVFKSA-N
XLogP1.44
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(5-ethylpyrimidin-2-yl)-6-fluoro-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-3-(5-ethylpyrimidin-2-yl)-6-fluoro-3-azabicyclo[3.1.0]hexane (CID 66837510) is (1R,5S)-3-(5-ethylpyrimidin-2-yl)-6-fluoro-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-3-(5-ethylpyrimidin-2-yl)-6-fluoro-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-3-(5-ethylpyrimidin-2-yl)-6-fluoro-3-azabicyclo[3.1.0]hexane is CCc1cnc(N2C[C@@H]3C(F)[C@@H]3C2)nc1.
What is the InChIKey of (1R,5S)-3-(5-ethylpyrimidin-2-yl)-6-fluoro-3-azabicyclo[3.1.0]hexane?
The InChIKey is SWDLLXPEPTUKSN-ULKQDVFKSA-N. The full InChI is InChI=1S/C11H14FN3/c1-2-7-3-13-11(14-4-7)15-5-8-9(6-15)10(8)12/h3-4,8-10H,2,5-6H2,1H3/t8-,9+,10?.
What are the key properties of (1R,5S)-3-(5-ethylpyrimidin-2-yl)-6-fluoro-3-azabicyclo[3.1.0]hexane?
(1R,5S)-3-(5-ethylpyrimidin-2-yl)-6-fluoro-3-azabicyclo[3.1.0]hexane has a molecular weight of 207.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(5-ethylpyrimidin-2-yl)-6-fluoro-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 66837510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).