(1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol

C9H13FN4O2 — CID 150307493

IUPAC(1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol
SMILESOC[C@H]1C[C@@H](Nc2ncncn2)[C@H](F)[C@@H]1O
InChIInChI=1S/C9H13FN4O2/c10-7-6(1-5(2-15)8(7)16)14-9-12-3-11-4-13-9/h3-8,15-16H,1-2H2,(H,11,12,13,14)/t5-,6-,7+,8-/m1/s1
InChIKeyGKXFCJUYPHOSCK-OOJXKGFFSA-N
MW228.23 g/mol
LogP-0.64
Rot. Bonds3

About (1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol

(1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol (PubChem CID 150307493) has the molecular formula C9H13FN4O2 and a molecular weight of 228.23 g/mol. Its IUPAC name is (1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol
PubChem CID150307493
Molecular FormulaC9H13FN4O2
Molecular Weight228.23 g/mol
Exact Mass228.10
IUPAC Name(1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol
SMILESOC[C@H]1C[C@@H](Nc2ncncn2)[C@H](F)[C@@H]1O
InChIInChI=1S/C9H13FN4O2/c10-7-6(1-5(2-15)8(7)16)14-9-12-3-11-4-13-9/h3-8,15-16H,1-2H2,(H,11,12,13,14)/t5-,6-,7+,8-/m1/s1
InChIKeyGKXFCJUYPHOSCK-OOJXKGFFSA-N
XLogP-0.64
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol?
The IUPAC name of (1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol (CID 150307493) is (1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol.
What is the SMILES notation for (1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol?
The canonical SMILES for (1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol is OC[C@H]1C[C@@H](Nc2ncncn2)[C@H](F)[C@@H]1O.
What is the InChIKey of (1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol?
The InChIKey is GKXFCJUYPHOSCK-OOJXKGFFSA-N. The full InChI is InChI=1S/C9H13FN4O2/c10-7-6(1-5(2-15)8(7)16)14-9-12-3-11-4-13-9/h3-8,15-16H,1-2H2,(H,11,12,13,14)/t5-,6-,7+,8-/m1/s1.
What are the key properties of (1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol?
(1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol has a molecular weight of 228.23 g/mol, XLogP of -0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 150307493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).