(3S,4S)-4-ethoxy-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol

C10H14FN3O2 — CID 91780076

IUPAC(3S,4S)-4-ethoxy-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol
SMILESCCO[C@H]1CN(c2ncc(F)cn2)C[C@@H]1O
InChIInChI=1S/C10H14FN3O2/c1-2-16-9-6-14(5-8(9)15)10-12-3-7(11)4-13-10/h3-4,8-9,15H,2,5-6H2,1H3/t8-,9-/m0/s1
InChIKeyHQOXDQUJWUXINI-IUCAKERBSA-N
MW227.24 g/mol
LogP0.20
Rot. Bonds3

About (3S,4S)-4-ethoxy-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol

(3S,4S)-4-ethoxy-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol (PubChem CID 91780076) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is (3S,4S)-4-ethoxy-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-ethoxy-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol
PubChem CID91780076
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name(3S,4S)-4-ethoxy-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol
SMILESCCO[C@H]1CN(c2ncc(F)cn2)C[C@@H]1O
InChIInChI=1S/C10H14FN3O2/c1-2-16-9-6-14(5-8(9)15)10-12-3-7(11)4-13-10/h3-4,8-9,15H,2,5-6H2,1H3/t8-,9-/m0/s1
InChIKeyHQOXDQUJWUXINI-IUCAKERBSA-N
XLogP0.20
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-ethoxy-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-ethoxy-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol (CID 91780076) is (3S,4S)-4-ethoxy-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-ethoxy-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-ethoxy-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol is CCO[C@H]1CN(c2ncc(F)cn2)C[C@@H]1O.
What is the InChIKey of (3S,4S)-4-ethoxy-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol?
The InChIKey is HQOXDQUJWUXINI-IUCAKERBSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-2-16-9-6-14(5-8(9)15)10-12-3-7(11)4-13-10/h3-4,8-9,15H,2,5-6H2,1H3/t8-,9-/m0/s1.
What are the key properties of (3S,4S)-4-ethoxy-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol?
(3S,4S)-4-ethoxy-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol has a molecular weight of 227.24 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-ethoxy-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 91780076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).