[(3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)cyclopentyl]methanol

C10H14FN3O — CID 166924379

IUPAC[(3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)cyclopentyl]methanol
SMILESOCC1C[C@@H](F)[C@H](Nc2ccncn2)C1
InChIInChI=1S/C10H14FN3O/c11-8-3-7(5-15)4-9(8)14-10-1-2-12-6-13-10/h1-2,6-9,15H,3-5H2,(H,12,13,14)/t7?,8-,9-/m1/s1
InChIKeyNKXYGDRNOOXHAZ-CFCGPWAMSA-N
MW211.24 g/mol
LogP1.00
Rot. Bonds3

About [(3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)cyclopentyl]methanol

[(3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)cyclopentyl]methanol (PubChem CID 166924379) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is [(3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[(3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)cyclopentyl]methanol
PubChem CID166924379
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name[(3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)cyclopentyl]methanol
SMILESOCC1C[C@@H](F)[C@H](Nc2ccncn2)C1
InChIInChI=1S/C10H14FN3O/c11-8-3-7(5-15)4-9(8)14-10-1-2-12-6-13-10/h1-2,6-9,15H,3-5H2,(H,12,13,14)/t7?,8-,9-/m1/s1
InChIKeyNKXYGDRNOOXHAZ-CFCGPWAMSA-N
XLogP1.00
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)cyclopentyl]methanol?
The IUPAC name of [(3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)cyclopentyl]methanol (CID 166924379) is [(3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [(3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)cyclopentyl]methanol?
The canonical SMILES for [(3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)cyclopentyl]methanol is OCC1C[C@@H](F)[C@H](Nc2ccncn2)C1.
What is the InChIKey of [(3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)cyclopentyl]methanol?
The InChIKey is NKXYGDRNOOXHAZ-CFCGPWAMSA-N. The full InChI is InChI=1S/C10H14FN3O/c11-8-3-7(5-15)4-9(8)14-10-1-2-12-6-13-10/h1-2,6-9,15H,3-5H2,(H,12,13,14)/t7?,8-,9-/m1/s1.
What are the key properties of [(3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)cyclopentyl]methanol?
[(3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)cyclopentyl]methanol has a molecular weight of 211.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 166924379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).