4-[(2R,4R,6S)-4-amino-6-(1-fluoroethyl)oxan-2-yl]pyridin-3-amine

C12H18FN3O — CID 67208366

IUPAC4-[(2R,4R,6S)-4-amino-6-(1-fluoroethyl)oxan-2-yl]pyridin-3-amine
SMILESCC(F)[C@@H]1C[C@H](N)C[C@H](c2ccncc2N)O1
InChIInChI=1S/C12H18FN3O/c1-7(13)11-4-8(14)5-12(17-11)9-2-3-16-6-10(9)15/h2-3,6-8,11-12H,4-5,14-15H2,1H3/t7?,8-,11-,12+/m0/s1
InChIKeyZQYRKLJPSPSGSH-HERBQRHASA-N
MW239.29 g/mol
LogP1.57
Rot. Bonds2

About 4-[(2R,4R,6S)-4-amino-6-(1-fluoroethyl)oxan-2-yl]pyridin-3-amine

4-[(2R,4R,6S)-4-amino-6-(1-fluoroethyl)oxan-2-yl]pyridin-3-amine (PubChem CID 67208366) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-[(2R,4R,6S)-4-amino-6-(1-fluoroethyl)oxan-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(2R,4R,6S)-4-amino-6-(1-fluoroethyl)oxan-2-yl]pyridin-3-amine
PubChem CID67208366
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name4-[(2R,4R,6S)-4-amino-6-(1-fluoroethyl)oxan-2-yl]pyridin-3-amine
SMILESCC(F)[C@@H]1C[C@H](N)C[C@H](c2ccncc2N)O1
InChIInChI=1S/C12H18FN3O/c1-7(13)11-4-8(14)5-12(17-11)9-2-3-16-6-10(9)15/h2-3,6-8,11-12H,4-5,14-15H2,1H3/t7?,8-,11-,12+/m0/s1
InChIKeyZQYRKLJPSPSGSH-HERBQRHASA-N
XLogP1.57
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,4R,6S)-4-amino-6-(1-fluoroethyl)oxan-2-yl]pyridin-3-amine?
The IUPAC name of 4-[(2R,4R,6S)-4-amino-6-(1-fluoroethyl)oxan-2-yl]pyridin-3-amine (CID 67208366) is 4-[(2R,4R,6S)-4-amino-6-(1-fluoroethyl)oxan-2-yl]pyridin-3-amine.
What is the SMILES notation for 4-[(2R,4R,6S)-4-amino-6-(1-fluoroethyl)oxan-2-yl]pyridin-3-amine?
The canonical SMILES for 4-[(2R,4R,6S)-4-amino-6-(1-fluoroethyl)oxan-2-yl]pyridin-3-amine is CC(F)[C@@H]1C[C@H](N)C[C@H](c2ccncc2N)O1.
What is the InChIKey of 4-[(2R,4R,6S)-4-amino-6-(1-fluoroethyl)oxan-2-yl]pyridin-3-amine?
The InChIKey is ZQYRKLJPSPSGSH-HERBQRHASA-N. The full InChI is InChI=1S/C12H18FN3O/c1-7(13)11-4-8(14)5-12(17-11)9-2-3-16-6-10(9)15/h2-3,6-8,11-12H,4-5,14-15H2,1H3/t7?,8-,11-,12+/m0/s1.
What are the key properties of 4-[(2R,4R,6S)-4-amino-6-(1-fluoroethyl)oxan-2-yl]pyridin-3-amine?
4-[(2R,4R,6S)-4-amino-6-(1-fluoroethyl)oxan-2-yl]pyridin-3-amine has a molecular weight of 239.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,4R,6S)-4-amino-6-(1-fluoroethyl)oxan-2-yl]pyridin-3-amine is sourced from PubChem (CID 67208366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).