2-[(3R,4R)-4-fluoropiperidin-3-yl]oxy-1H-pyrimidin-6-one

C9H12FN3O2 — CID 67960576

IUPAC2-[(3R,4R)-4-fluoropiperidin-3-yl]oxy-1H-pyrimidin-6-one
SMILESO=c1ccnc(O[C@@H]2CNCC[C@H]2F)[nH]1
InChIInChI=1S/C9H12FN3O2/c10-6-1-3-11-5-7(6)15-9-12-4-2-8(14)13-9/h2,4,6-7,11H,1,3,5H2,(H,12,13,14)/t6-,7-/m1/s1
InChIKeyWCFJIYFYJCHRKV-RNFRBKRXSA-N
MW213.21 g/mol
LogP-0.15
Rot. Bonds2

About 2-[(3R,4R)-4-fluoropiperidin-3-yl]oxy-1H-pyrimidin-6-one

2-[(3R,4R)-4-fluoropiperidin-3-yl]oxy-1H-pyrimidin-6-one (PubChem CID 67960576) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-[(3R,4R)-4-fluoropiperidin-3-yl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3R,4R)-4-fluoropiperidin-3-yl]oxy-1H-pyrimidin-6-one
PubChem CID67960576
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name2-[(3R,4R)-4-fluoropiperidin-3-yl]oxy-1H-pyrimidin-6-one
SMILESO=c1ccnc(O[C@@H]2CNCC[C@H]2F)[nH]1
InChIInChI=1S/C9H12FN3O2/c10-6-1-3-11-5-7(6)15-9-12-4-2-8(14)13-9/h2,4,6-7,11H,1,3,5H2,(H,12,13,14)/t6-,7-/m1/s1
InChIKeyWCFJIYFYJCHRKV-RNFRBKRXSA-N
XLogP-0.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-fluoropiperidin-3-yl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3R,4R)-4-fluoropiperidin-3-yl]oxy-1H-pyrimidin-6-one (CID 67960576) is 2-[(3R,4R)-4-fluoropiperidin-3-yl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3R,4R)-4-fluoropiperidin-3-yl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3R,4R)-4-fluoropiperidin-3-yl]oxy-1H-pyrimidin-6-one is O=c1ccnc(O[C@@H]2CNCC[C@H]2F)[nH]1.
What is the InChIKey of 2-[(3R,4R)-4-fluoropiperidin-3-yl]oxy-1H-pyrimidin-6-one?
The InChIKey is WCFJIYFYJCHRKV-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H12FN3O2/c10-6-1-3-11-5-7(6)15-9-12-4-2-8(14)13-9/h2,4,6-7,11H,1,3,5H2,(H,12,13,14)/t6-,7-/m1/s1.
What are the key properties of 2-[(3R,4R)-4-fluoropiperidin-3-yl]oxy-1H-pyrimidin-6-one?
2-[(3R,4R)-4-fluoropiperidin-3-yl]oxy-1H-pyrimidin-6-one has a molecular weight of 213.21 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-fluoropiperidin-3-yl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 67960576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).