(1R,2R,3R,5S)-5-ethyl-2-fluoro-3-(pyrimidin-4-ylamino)cyclopentan-1-ol

C11H16FN3O — CID 162010538

IUPAC(1R,2R,3R,5S)-5-ethyl-2-fluoro-3-(pyrimidin-4-ylamino)cyclopentan-1-ol
SMILESCC[C@H]1C[C@@H](Nc2ccncn2)[C@@H](F)[C@@H]1O
InChIInChI=1S/C11H16FN3O/c1-2-7-5-8(10(12)11(7)16)15-9-3-4-13-6-14-9/h3-4,6-8,10-11,16H,2,5H2,1H3,(H,13,14,15)/t7-,8+,10+,11+/m0/s1
InChIKeyDSUARAPKACITOF-SCVMZPAESA-N
MW225.27 g/mol
LogP1.39
Rot. Bonds3

About (1R,2R,3R,5S)-5-ethyl-2-fluoro-3-(pyrimidin-4-ylamino)cyclopentan-1-ol

(1R,2R,3R,5S)-5-ethyl-2-fluoro-3-(pyrimidin-4-ylamino)cyclopentan-1-ol (PubChem CID 162010538) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is (1R,2R,3R,5S)-5-ethyl-2-fluoro-3-(pyrimidin-4-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,3R,5S)-5-ethyl-2-fluoro-3-(pyrimidin-4-ylamino)cyclopentan-1-ol
PubChem CID162010538
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name(1R,2R,3R,5S)-5-ethyl-2-fluoro-3-(pyrimidin-4-ylamino)cyclopentan-1-ol
SMILESCC[C@H]1C[C@@H](Nc2ccncn2)[C@@H](F)[C@@H]1O
InChIInChI=1S/C11H16FN3O/c1-2-7-5-8(10(12)11(7)16)15-9-3-4-13-6-14-9/h3-4,6-8,10-11,16H,2,5H2,1H3,(H,13,14,15)/t7-,8+,10+,11+/m0/s1
InChIKeyDSUARAPKACITOF-SCVMZPAESA-N
XLogP1.39
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,5S)-5-ethyl-2-fluoro-3-(pyrimidin-4-ylamino)cyclopentan-1-ol?
The IUPAC name of (1R,2R,3R,5S)-5-ethyl-2-fluoro-3-(pyrimidin-4-ylamino)cyclopentan-1-ol (CID 162010538) is (1R,2R,3R,5S)-5-ethyl-2-fluoro-3-(pyrimidin-4-ylamino)cyclopentan-1-ol.
What is the SMILES notation for (1R,2R,3R,5S)-5-ethyl-2-fluoro-3-(pyrimidin-4-ylamino)cyclopentan-1-ol?
The canonical SMILES for (1R,2R,3R,5S)-5-ethyl-2-fluoro-3-(pyrimidin-4-ylamino)cyclopentan-1-ol is CC[C@H]1C[C@@H](Nc2ccncn2)[C@@H](F)[C@@H]1O.
What is the InChIKey of (1R,2R,3R,5S)-5-ethyl-2-fluoro-3-(pyrimidin-4-ylamino)cyclopentan-1-ol?
The InChIKey is DSUARAPKACITOF-SCVMZPAESA-N. The full InChI is InChI=1S/C11H16FN3O/c1-2-7-5-8(10(12)11(7)16)15-9-3-4-13-6-14-9/h3-4,6-8,10-11,16H,2,5H2,1H3,(H,13,14,15)/t7-,8+,10+,11+/m0/s1.
What are the key properties of (1R,2R,3R,5S)-5-ethyl-2-fluoro-3-(pyrimidin-4-ylamino)cyclopentan-1-ol?
(1R,2R,3R,5S)-5-ethyl-2-fluoro-3-(pyrimidin-4-ylamino)cyclopentan-1-ol has a molecular weight of 225.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,5S)-5-ethyl-2-fluoro-3-(pyrimidin-4-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 162010538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).