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

C10H15FN4OS — CID 141406579

IUPAC2-[(3R,4S)-3-fluoro-4-methylsulfinylpiperidin-1-yl]pyrimidin-4-amine
SMILESCS(=O)[C@H]1CCN(c2nccc(N)n2)C[C@H]1F
InChIInChI=1S/C10H15FN4OS/c1-17(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+,17?/m1/s1
InChIKeyMFPGPZQDEQVJGC-KUPJKLNESA-N
MW258.32 g/mol
LogP0.35
Rot. Bonds2

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

2-[(3R,4S)-3-fluoro-4-methylsulfinylpiperidin-1-yl]pyrimidin-4-amine (PubChem CID 141406579) has the molecular formula C10H15FN4OS and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(3R,4S)-3-fluoro-4-methylsulfinylpiperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3R,4S)-3-fluoro-4-methylsulfinylpiperidin-1-yl]pyrimidin-4-amine
PubChem CID141406579
Molecular FormulaC10H15FN4OS
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name2-[(3R,4S)-3-fluoro-4-methylsulfinylpiperidin-1-yl]pyrimidin-4-amine
SMILESCS(=O)[C@H]1CCN(c2nccc(N)n2)C[C@H]1F
InChIInChI=1S/C10H15FN4OS/c1-17(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+,17?/m1/s1
InChIKeyMFPGPZQDEQVJGC-KUPJKLNESA-N
XLogP0.35
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.35
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-methylsulfinylpiperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[(3R,4S)-3-fluoro-4-methylsulfinylpiperidin-1-yl]pyrimidin-4-amine (CID 141406579) is 2-[(3R,4S)-3-fluoro-4-methylsulfinylpiperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3R,4S)-3-fluoro-4-methylsulfinylpiperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[(3R,4S)-3-fluoro-4-methylsulfinylpiperidin-1-yl]pyrimidin-4-amine is CS(=O)[C@H]1CCN(c2nccc(N)n2)C[C@H]1F.
What is the InChIKey of 2-[(3R,4S)-3-fluoro-4-methylsulfinylpiperidin-1-yl]pyrimidin-4-amine?
The InChIKey is MFPGPZQDEQVJGC-KUPJKLNESA-N. The full InChI is InChI=1S/C10H15FN4OS/c1-17(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+,17?/m1/s1.
What are the key properties of 2-[(3R,4S)-3-fluoro-4-methylsulfinylpiperidin-1-yl]pyrimidin-4-amine?
2-[(3R,4S)-3-fluoro-4-methylsulfinylpiperidin-1-yl]pyrimidin-4-amine has a molecular weight of 258.32 g/mol, XLogP of 0.35, 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-methylsulfinylpiperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 141406579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).