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

C10H15FN4O — CID 158021576

IUPAC(1R,2S,3R,5S)-5-ethyl-2-fluoro-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol
SMILESCC[C@H]1C[C@@H](Nc2ncncn2)[C@H](F)[C@@H]1O
InChIInChI=1S/C10H15FN4O/c1-2-6-3-7(8(11)9(6)16)15-10-13-4-12-5-14-10/h4-9,16H,2-3H2,1H3,(H,12,13,14,15)/t6-,7+,8-,9+/m0/s1
InChIKeyLPRFROUINBJPRK-UYXSQOIJSA-N
MW226.25 g/mol
LogP0.78
Rot. Bonds3

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

(1R,2S,3R,5S)-5-ethyl-2-fluoro-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol (PubChem CID 158021576) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is (1R,2S,3R,5S)-5-ethyl-2-fluoro-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,3R,5S)-5-ethyl-2-fluoro-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol
PubChem CID158021576
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name(1R,2S,3R,5S)-5-ethyl-2-fluoro-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol
SMILESCC[C@H]1C[C@@H](Nc2ncncn2)[C@H](F)[C@@H]1O
InChIInChI=1S/C10H15FN4O/c1-2-6-3-7(8(11)9(6)16)15-10-13-4-12-5-14-10/h4-9,16H,2-3H2,1H3,(H,12,13,14,15)/t6-,7+,8-,9+/m0/s1
InChIKeyLPRFROUINBJPRK-UYXSQOIJSA-N
XLogP0.78
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5S)-5-ethyl-2-fluoro-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol?
The IUPAC name of (1R,2S,3R,5S)-5-ethyl-2-fluoro-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol (CID 158021576) is (1R,2S,3R,5S)-5-ethyl-2-fluoro-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol.
What is the SMILES notation for (1R,2S,3R,5S)-5-ethyl-2-fluoro-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol?
The canonical SMILES for (1R,2S,3R,5S)-5-ethyl-2-fluoro-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol is CC[C@H]1C[C@@H](Nc2ncncn2)[C@H](F)[C@@H]1O.
What is the InChIKey of (1R,2S,3R,5S)-5-ethyl-2-fluoro-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol?
The InChIKey is LPRFROUINBJPRK-UYXSQOIJSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-2-6-3-7(8(11)9(6)16)15-10-13-4-12-5-14-10/h4-9,16H,2-3H2,1H3,(H,12,13,14,15)/t6-,7+,8-,9+/m0/s1.
What are the key properties of (1R,2S,3R,5S)-5-ethyl-2-fluoro-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol?
(1R,2S,3R,5S)-5-ethyl-2-fluoro-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol has a molecular weight of 226.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5S)-5-ethyl-2-fluoro-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 158021576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).