2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine

C10H15FN4O — CID 90176820

IUPAC2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine
SMILESCO[C@H]1CCN(c2nccc(N)n2)C[C@H]1F
InChIInChI=1S/C10H15FN4O/c1-16-8-3-5-15(6-7(8)11)10-13-4-2-9(12)14-10/h2,4,7-8H,3,5-6H2,1H3,(H2,12,13,14)/t7-,8+/m1/s1
InChIKeyZPJRVIQGQKUQQE-SFYZADRCSA-N
MW226.25 g/mol
LogP0.62
Rot. Bonds2

About 2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine

2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine (PubChem CID 90176820) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine
PubChem CID90176820
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine
SMILESCO[C@H]1CCN(c2nccc(N)n2)C[C@H]1F
InChIInChI=1S/C10H15FN4O/c1-16-8-3-5-15(6-7(8)11)10-13-4-2-9(12)14-10/h2,4,7-8H,3,5-6H2,1H3,(H2,12,13,14)/t7-,8+/m1/s1
InChIKeyZPJRVIQGQKUQQE-SFYZADRCSA-N
XLogP0.62
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine (CID 90176820) is 2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine is CO[C@H]1CCN(c2nccc(N)n2)C[C@H]1F.
What is the InChIKey of 2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine?
The InChIKey is ZPJRVIQGQKUQQE-SFYZADRCSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-16-8-3-5-15(6-7(8)11)10-13-4-2-9(12)14-10/h2,4,7-8H,3,5-6H2,1H3,(H2,12,13,14)/t7-,8+/m1/s1.
What are the key properties of 2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine?
2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine has a molecular weight of 226.25 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 90176820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).