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

C10H14F2N4O2 — CID 156549894

IUPAC(3S,4S)-1-(4-aminopyrimidin-2-yl)-5,5-difluoro-4-methoxypiperidin-3-ol
SMILESCO[C@H]1[C@@H](O)CN(c2nccc(N)n2)CC1(F)F
InChIInChI=1S/C10H14F2N4O2/c1-18-8-6(17)4-16(5-10(8,11)12)9-14-3-2-7(13)15-9/h2-3,6,8,17H,4-5H2,1H3,(H2,13,14,15)/t6-,8-/m0/s1
InChIKeyPFTIBECAXFJDCK-XPUUQOCRSA-N
MW260.24 g/mol
LogP-0.11
Rot. Bonds2

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

(3S,4S)-1-(4-aminopyrimidin-2-yl)-5,5-difluoro-4-methoxypiperidin-3-ol (PubChem CID 156549894) has the molecular formula C10H14F2N4O2 and a molecular weight of 260.24 g/mol. Its IUPAC name is (3S,4S)-1-(4-aminopyrimidin-2-yl)-5,5-difluoro-4-methoxypiperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-(4-aminopyrimidin-2-yl)-5,5-difluoro-4-methoxypiperidin-3-ol
PubChem CID156549894
Molecular FormulaC10H14F2N4O2
Molecular Weight260.24 g/mol
Exact Mass260.11
IUPAC Name(3S,4S)-1-(4-aminopyrimidin-2-yl)-5,5-difluoro-4-methoxypiperidin-3-ol
SMILESCO[C@H]1[C@@H](O)CN(c2nccc(N)n2)CC1(F)F
InChIInChI=1S/C10H14F2N4O2/c1-18-8-6(17)4-16(5-10(8,11)12)9-14-3-2-7(13)15-9/h2-3,6,8,17H,4-5H2,1H3,(H2,13,14,15)/t6-,8-/m0/s1
InChIKeyPFTIBECAXFJDCK-XPUUQOCRSA-N
XLogP-0.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(4-aminopyrimidin-2-yl)-5,5-difluoro-4-methoxypiperidin-3-ol?
The IUPAC name of (3S,4S)-1-(4-aminopyrimidin-2-yl)-5,5-difluoro-4-methoxypiperidin-3-ol (CID 156549894) is (3S,4S)-1-(4-aminopyrimidin-2-yl)-5,5-difluoro-4-methoxypiperidin-3-ol.
What is the SMILES notation for (3S,4S)-1-(4-aminopyrimidin-2-yl)-5,5-difluoro-4-methoxypiperidin-3-ol?
The canonical SMILES for (3S,4S)-1-(4-aminopyrimidin-2-yl)-5,5-difluoro-4-methoxypiperidin-3-ol is CO[C@H]1[C@@H](O)CN(c2nccc(N)n2)CC1(F)F.
What is the InChIKey of (3S,4S)-1-(4-aminopyrimidin-2-yl)-5,5-difluoro-4-methoxypiperidin-3-ol?
The InChIKey is PFTIBECAXFJDCK-XPUUQOCRSA-N. The full InChI is InChI=1S/C10H14F2N4O2/c1-18-8-6(17)4-16(5-10(8,11)12)9-14-3-2-7(13)15-9/h2-3,6,8,17H,4-5H2,1H3,(H2,13,14,15)/t6-,8-/m0/s1.
What are the key properties of (3S,4S)-1-(4-aminopyrimidin-2-yl)-5,5-difluoro-4-methoxypiperidin-3-ol?
(3S,4S)-1-(4-aminopyrimidin-2-yl)-5,5-difluoro-4-methoxypiperidin-3-ol has a molecular weight of 260.24 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(4-aminopyrimidin-2-yl)-5,5-difluoro-4-methoxypiperidin-3-ol is sourced from PubChem (CID 156549894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).