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

C10H14FN3O2 — CID 141433565

IUPAC(1R,2R,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentan-1-ol
SMILESOC[C@H]1C[C@@H](Nc2ccncn2)[C@@H](F)[C@@H]1O
InChIInChI=1S/C10H14FN3O2/c11-9-7(3-6(4-15)10(9)16)14-8-1-2-12-5-13-8/h1-2,5-7,9-10,15-16H,3-4H2,(H,12,13,14)/t6-,7-,9-,10-/m1/s1
InChIKeyMJMWCWJAMYHBGE-KHUVANEUSA-N
MW227.24 g/mol
LogP-0.03
Rot. Bonds3

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

(1R,2R,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentan-1-ol (PubChem CID 141433565) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is (1R,2R,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentan-1-ol
PubChem CID141433565
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name(1R,2R,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentan-1-ol
SMILESOC[C@H]1C[C@@H](Nc2ccncn2)[C@@H](F)[C@@H]1O
InChIInChI=1S/C10H14FN3O2/c11-9-7(3-6(4-15)10(9)16)14-8-1-2-12-5-13-8/h1-2,5-7,9-10,15-16H,3-4H2,(H,12,13,14)/t6-,7-,9-,10-/m1/s1
InChIKeyMJMWCWJAMYHBGE-KHUVANEUSA-N
XLogP-0.03
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentan-1-ol?
The IUPAC name of (1R,2R,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentan-1-ol (CID 141433565) is (1R,2R,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentan-1-ol.
What is the SMILES notation for (1R,2R,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentan-1-ol?
The canonical SMILES for (1R,2R,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentan-1-ol is OC[C@H]1C[C@@H](Nc2ccncn2)[C@@H](F)[C@@H]1O.
What is the InChIKey of (1R,2R,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentan-1-ol?
The InChIKey is MJMWCWJAMYHBGE-KHUVANEUSA-N. The full InChI is InChI=1S/C10H14FN3O2/c11-9-7(3-6(4-15)10(9)16)14-8-1-2-12-5-13-8/h1-2,5-7,9-10,15-16H,3-4H2,(H,12,13,14)/t6-,7-,9-,10-/m1/s1.
What are the key properties of (1R,2R,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentan-1-ol?
(1R,2R,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentan-1-ol has a molecular weight of 227.24 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(pyrimidin-4-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 141433565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).