(3R,4S,5S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol

C10H15FN4O2 — CID 156550394

IUPAC(3R,4S,5S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol
SMILESCO[C@H]1CN(c2nccc(N)n2)C[C@@H](F)[C@H]1O
InChIInChI=1S/C10H15FN4O2/c1-17-7-5-15(4-6(11)9(7)16)10-13-3-2-8(12)14-10/h2-3,6-7,9,16H,4-5H2,1H3,(H2,12,13,14)/t6-,7+,9-/m1/s1
InChIKeyUKMLQPAJZRAEPD-BKPPORCPSA-N
MW242.25 g/mol
LogP-0.41
Rot. Bonds2

About (3R,4S,5S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol

(3R,4S,5S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol (PubChem CID 156550394) has the molecular formula C10H15FN4O2 and a molecular weight of 242.25 g/mol. Its IUPAC name is (3R,4S,5S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S,5S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol
PubChem CID156550394
Molecular FormulaC10H15FN4O2
Molecular Weight242.25 g/mol
Exact Mass242.12
IUPAC Name(3R,4S,5S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol
SMILESCO[C@H]1CN(c2nccc(N)n2)C[C@@H](F)[C@H]1O
InChIInChI=1S/C10H15FN4O2/c1-17-7-5-15(4-6(11)9(7)16)10-13-3-2-8(12)14-10/h2-3,6-7,9,16H,4-5H2,1H3,(H2,12,13,14)/t6-,7+,9-/m1/s1
InChIKeyUKMLQPAJZRAEPD-BKPPORCPSA-N
XLogP-0.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4S,5S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol with MolForge

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Related Compounds

(4-(Pyrimidin-2-yl)morpholin-2-yl)methanol
CID 54423499
1-(Pyrimidin-4-yl)piperidin-4-ol
CID 17959854
1-(2-Chloropyrimidin-4-Yl)Piperidin-3-Ol
CID 22309476
1-(2-Aminopyrimidin-4-yl)piperidin-3-ol
CID 66520509
2-(4-Methoxypiperidin-1-yl)pyrimidin-4-amine
CID 90176595
2-Fluoroarabinosyl pyrimidine
CID 22847474
2-((3S,4R)-3-Fluoro-4-methoxypiperidin-1-yl)pyrimidin-4-amine
CID 90176636
1-(Pyrimidin-2-yl)piperidin-3-ol
CID 24097085
Fluoroarabinosyl pyrimidine
CID 129673579
1-[(2-Aminopyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)propan-2-ol
CID 459825
1-[4-[6-(Cyclopropylamino)pyrimidin-4-yl]morpholin-2-yl]ethanol
CID 128733275
2-(1-hydroxyethyl)-N-(2-methoxypyrimidin-4-yl)morpholine-4-carboxamide
CID 128787231

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol?
The IUPAC name of (3R,4S,5S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol (CID 156550394) is (3R,4S,5S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol.
What is the SMILES notation for (3R,4S,5S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol?
The canonical SMILES for (3R,4S,5S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol is CO[C@H]1CN(c2nccc(N)n2)C[C@@H](F)[C@H]1O.
What is the InChIKey of (3R,4S,5S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol?
The InChIKey is UKMLQPAJZRAEPD-BKPPORCPSA-N. The full InChI is InChI=1S/C10H15FN4O2/c1-17-7-5-15(4-6(11)9(7)16)10-13-3-2-8(12)14-10/h2-3,6-7,9,16H,4-5H2,1H3,(H2,12,13,14)/t6-,7+,9-/m1/s1.
What are the key properties of (3R,4S,5S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol?
(3R,4S,5S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol has a molecular weight of 242.25 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-1-(4-aminopyrimidin-2-yl)-3-fluoro-5-methoxypiperidin-4-ol is sourced from PubChem (CID 156550394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).