(3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol

C10H15FN4O — CID 90176650

IUPAC(3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol
SMILESC[C@]1(O)CCN(c2nccc(N)n2)C[C@H]1F
InChIInChI=1S/C10H15FN4O/c1-10(16)3-5-15(6-7(10)11)9-13-4-2-8(12)14-9/h2,4,7,16H,3,5-6H2,1H3,(H2,12,13,14)/t7-,10+/m1/s1
InChIKeyQLXITVJFXUHSOE-XCBNKYQSSA-N
MW226.25 g/mol
LogP0.36
Rot. Bonds1

About (3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol

(3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol (PubChem CID 90176650) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is (3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol
PubChem CID90176650
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name(3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol
SMILESC[C@]1(O)CCN(c2nccc(N)n2)C[C@H]1F
InChIInChI=1S/C10H15FN4O/c1-10(16)3-5-15(6-7(10)11)9-13-4-2-8(12)14-9/h2,4,7,16H,3,5-6H2,1H3,(H2,12,13,14)/t7-,10+/m1/s1
InChIKeyQLXITVJFXUHSOE-XCBNKYQSSA-N
XLogP0.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol?
The IUPAC name of (3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol (CID 90176650) is (3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol?
The canonical SMILES for (3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol is C[C@]1(O)CCN(c2nccc(N)n2)C[C@H]1F.
What is the InChIKey of (3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol?
The InChIKey is QLXITVJFXUHSOE-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-10(16)3-5-15(6-7(10)11)9-13-4-2-8(12)14-9/h2,4,7,16H,3,5-6H2,1H3,(H2,12,13,14)/t7-,10+/m1/s1.
What are the key properties of (3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol?
(3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol has a molecular weight of 226.25 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-4-methylpiperidin-4-ol is sourced from PubChem (CID 90176650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).