5-fluoro-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]pyridin-3-amine

C13H19FN4O — CID 90199824

IUPAC5-fluoro-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]pyridin-3-amine
SMILESNc1cncc(F)c1N1CCN([C@H]2CCOC2)CC1
InChIInChI=1S/C13H19FN4O/c14-11-7-16-8-12(15)13(11)18-4-2-17(3-5-18)10-1-6-19-9-10/h7-8,10H,1-6,9,15H2/t10-/m0/s1
InChIKeyVKWMMSGVLDOKGZ-JTQLQIEISA-N
MW266.32 g/mol
LogP0.71
Rot. Bonds2

About 5-fluoro-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]pyridin-3-amine

5-fluoro-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]pyridin-3-amine (PubChem CID 90199824) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-fluoro-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-fluoro-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]pyridin-3-amine
PubChem CID90199824
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name5-fluoro-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]pyridin-3-amine
SMILESNc1cncc(F)c1N1CCN([C@H]2CCOC2)CC1
InChIInChI=1S/C13H19FN4O/c14-11-7-16-8-12(15)13(11)18-4-2-17(3-5-18)10-1-6-19-9-10/h7-8,10H,1-6,9,15H2/t10-/m0/s1
InChIKeyVKWMMSGVLDOKGZ-JTQLQIEISA-N
XLogP0.71
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 5-fluoro-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]pyridin-3-amine (CID 90199824) is 5-fluoro-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 5-fluoro-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 5-fluoro-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]pyridin-3-amine is Nc1cncc(F)c1N1CCN([C@H]2CCOC2)CC1.
What is the InChIKey of 5-fluoro-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]pyridin-3-amine?
The InChIKey is VKWMMSGVLDOKGZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19FN4O/c14-11-7-16-8-12(15)13(11)18-4-2-17(3-5-18)10-1-6-19-9-10/h7-8,10H,1-6,9,15H2/t10-/m0/s1.
What are the key properties of 5-fluoro-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]pyridin-3-amine?
5-fluoro-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]pyridin-3-amine has a molecular weight of 266.32 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 90199824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).