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

C9H13FN4O — CID 90176955

IUPAC(3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoropiperidin-4-ol
SMILESNc1ccnc(N2CC[C@H](O)[C@H](F)C2)n1
InChIInChI=1S/C9H13FN4O/c10-6-5-14(4-2-7(6)15)9-12-3-1-8(11)13-9/h1,3,6-7,15H,2,4-5H2,(H2,11,12,13)/t6-,7+/m1/s1
InChIKeyYHOXFVPAPCSWPU-RQJHMYQMSA-N
MW212.23 g/mol
LogP-0.03
Rot. Bonds1

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

(3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoropiperidin-4-ol (PubChem CID 90176955) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is (3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoropiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoropiperidin-4-ol
PubChem CID90176955
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC Name(3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoropiperidin-4-ol
SMILESNc1ccnc(N2CC[C@H](O)[C@H](F)C2)n1
InChIInChI=1S/C9H13FN4O/c10-6-5-14(4-2-7(6)15)9-12-3-1-8(11)13-9/h1,3,6-7,15H,2,4-5H2,(H2,11,12,13)/t6-,7+/m1/s1
InChIKeyYHOXFVPAPCSWPU-RQJHMYQMSA-N
XLogP-0.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.03
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-fluoropiperidin-4-ol?
The IUPAC name of (3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoropiperidin-4-ol (CID 90176955) is (3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoropiperidin-4-ol.
What is the SMILES notation for (3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoropiperidin-4-ol?
The canonical SMILES for (3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoropiperidin-4-ol is Nc1ccnc(N2CC[C@H](O)[C@H](F)C2)n1.
What is the InChIKey of (3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoropiperidin-4-ol?
The InChIKey is YHOXFVPAPCSWPU-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H13FN4O/c10-6-5-14(4-2-7(6)15)9-12-3-1-8(11)13-9/h1,3,6-7,15H,2,4-5H2,(H2,11,12,13)/t6-,7+/m1/s1.
What are the key properties of (3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoropiperidin-4-ol?
(3R,4S)-1-(4-aminopyrimidin-2-yl)-3-fluoropiperidin-4-ol has a molecular weight of 212.23 g/mol, XLogP of -0.03, 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-fluoropiperidin-4-ol is sourced from PubChem (CID 90176955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).