(1R,2S,3R,5R)-3-amino-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5R)-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5S)-5-ethyl-2-fluoro-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;2,4,6-trichloro-1,3,5-triazine;hydrochloride

C37H52Cl6F4N16O7 — CID 158021575

IUPAC(1R,2S,3R,5R)-3-amino-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5R)-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5S)-5-ethyl-2-fluoro-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;2,4,6-trichloro-1,3,5-triazine;hydrochloride
SMILESCC[C@H]1C[C@@H](Nc2ncncn2)[C@H](F)[C@@H]1O.Cl.Clc1nc(Cl)nc(Cl)n1.N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1F.OC[C@H]1C[C@@H](Nc2nc(Cl)nc(Cl)n2)[C@H](F)[C@@H]1O.OC[C@H]1C[C@@H](Nc2ncncn2)[C@H](F)[C@@H]1O
InChIInChI=1S/C10H15FN4O.C9H11Cl2FN4O2.C9H13FN4O2.C6H12FNO2.C3Cl3N3.ClH/c1-2-6-3-7(8(11)9(6)16)15-10-13-4-12-5-14-10;10-7-14-8(11)16-9(15-7)13-4-1-3(2-17)6(18)5(4)12;10-7-6(1-5(2-15)8(7)16)14-9-12-3-11-4-13-9;7-5-4(8)1-3(2-9)6(5)10;4-1-7-2(5)9-3(6)8-1;/h4-9,16H,2-3H2,1H3,(H,12,13,14,15);3-6,17-18H,1-2H2,(H,13,14,15,16);3-8,15-16H,1-2H2,(H,11,12,13,14);3-6,9-10H,1-2,8H2;;1H/t6-,7+,8-,9+;3-,4-,5+,6-;5-,6-,7+,8-;3-,4-,5+,6-;;/m0111../s1
InChIKeyVFGWGUNSLMFGIY-GOASTDJQSA-N
MW1121.64 g/mol
LogP2.09
Rot. Bonds10

About (1R,2S,3R,5R)-3-amino-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5R)-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5S)-5-ethyl-2-fluoro-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;2,4,6-trichloro-1,3,5-triazine;hydrochloride

(1R,2S,3R,5R)-3-amino-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5R)-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5S)-5-ethyl-2-fluoro-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;2,4,6-trichloro-1,3,5-triazine;hydrochloride (PubChem CID 158021575) has the molecular formula C37H52Cl6F4N16O7 and a molecular weight of 1121.64 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-amino-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5R)-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5S)-5-ethyl-2-fluoro-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;2,4,6-trichloro-1,3,5-triazine;hydrochloride.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-amino-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5R)-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5S)-5-ethyl-2-fluoro-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;2,4,6-trichloro-1,3,5-triazine;hydrochloride
PubChem CID158021575
Molecular FormulaC37H52Cl6F4N16O7
Molecular Weight1121.64 g/mol
Exact Mass1118.23
IUPAC Name(1R,2S,3R,5R)-3-amino-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5R)-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5S)-5-ethyl-2-fluoro-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;2,4,6-trichloro-1,3,5-triazine;hydrochloride
SMILESCC[C@H]1C[C@@H](Nc2ncncn2)[C@H](F)[C@@H]1O.Cl.Clc1nc(Cl)nc(Cl)n1.N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1F.OC[C@H]1C[C@@H](Nc2nc(Cl)nc(Cl)n2)[C@H](F)[C@@H]1O.OC[C@H]1C[C@@H](Nc2ncncn2)[C@H](F)[C@@H]1O
InChIInChI=1S/C10H15FN4O.C9H11Cl2FN4O2.C9H13FN4O2.C6H12FNO2.C3Cl3N3.ClH/c1-2-6-3-7(8(11)9(6)16)15-10-13-4-12-5-14-10;10-7-14-8(11)16-9(15-7)13-4-1-3(2-17)6(18)5(4)12;10-7-6(1-5(2-15)8(7)16)14-9-12-3-11-4-13-9;7-5-4(8)1-3(2-9)6(5)10;4-1-7-2(5)9-3(6)8-1;/h4-9,16H,2-3H2,1H3,(H,12,13,14,15);3-6,17-18H,1-2H2,(H,13,14,15,16);3-8,15-16H,1-2H2,(H,11,12,13,14);3-6,9-10H,1-2,8H2;;1H/t6-,7+,8-,9+;3-,4-,5+,6-;5-,6-,7+,8-;3-,4-,5+,6-;;/m0111../s1
InChIKeyVFGWGUNSLMFGIY-GOASTDJQSA-N
XLogP2.09
TPSA358.40 Ų
H-Bond Donors11
H-Bond Acceptors23
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001121.64
LogP ≤ 52.09
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1023

Analyze (1R,2S,3R,5R)-3-amino-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5R)-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5S)-5-ethyl-2-fluoro-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;2,4,6-trichloro-1,3,5-triazine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-amino-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5R)-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5S)-5-ethyl-2-fluoro-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;2,4,6-trichloro-1,3,5-triazine;hydrochloride?
The IUPAC name of (1R,2S,3R,5R)-3-amino-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5R)-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5S)-5-ethyl-2-fluoro-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;2,4,6-trichloro-1,3,5-triazine;hydrochloride (CID 158021575) is (1R,2S,3R,5R)-3-amino-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5R)-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5S)-5-ethyl-2-fluoro-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;2,4,6-trichloro-1,3,5-triazine;hydrochloride.
What is the SMILES notation for (1R,2S,3R,5R)-3-amino-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5R)-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5S)-5-ethyl-2-fluoro-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;2,4,6-trichloro-1,3,5-triazine;hydrochloride?
The canonical SMILES for (1R,2S,3R,5R)-3-amino-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5R)-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5S)-5-ethyl-2-fluoro-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;2,4,6-trichloro-1,3,5-triazine;hydrochloride is CC[C@H]1C[C@@H](Nc2ncncn2)[C@H](F)[C@@H]1O.Cl.Clc1nc(Cl)nc(Cl)n1.N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1F.OC[C@H]1C[C@@H](Nc2nc(Cl)nc(Cl)n2)[C@H](F)[C@@H]1O.OC[C@H]1C[C@@H](Nc2ncncn2)[C@H](F)[C@@H]1O.
What is the InChIKey of (1R,2S,3R,5R)-3-amino-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5R)-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5S)-5-ethyl-2-fluoro-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;2,4,6-trichloro-1,3,5-triazine;hydrochloride?
The InChIKey is VFGWGUNSLMFGIY-GOASTDJQSA-N. The full InChI is InChI=1S/C10H15FN4O.C9H11Cl2FN4O2.C9H13FN4O2.C6H12FNO2.C3Cl3N3.ClH/c1-2-6-3-7(8(11)9(6)16)15-10-13-4-12-5-14-10;10-7-14-8(11)16-9(15-7)13-4-1-3(2-17)6(18)5(4)12;10-7-6(1-5(2-15)8(7)16)14-9-12-3-11-4-13-9;7-5-4(8)1-3(2-9)6(5)10;4-1-7-2(5)9-3(6)8-1;/h4-9,16H,2-3H2,1H3,(H,12,13,14,15);3-6,17-18H,1-2H2,(H,13,14,15,16);3-8,15-16H,1-2H2,(H,11,12,13,14);3-6,9-10H,1-2,8H2;;1H/t6-,7+,8-,9+;3-,4-,5+,6-;5-,6-,7+,8-;3-,4-,5+,6-;;/m0111../s1.
What are the key properties of (1R,2S,3R,5R)-3-amino-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5R)-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5S)-5-ethyl-2-fluoro-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;2,4,6-trichloro-1,3,5-triazine;hydrochloride?
(1R,2S,3R,5R)-3-amino-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5R)-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5S)-5-ethyl-2-fluoro-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;2,4,6-trichloro-1,3,5-triazine;hydrochloride has a molecular weight of 1121.64 g/mol, XLogP of 2.09, 10 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-amino-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5R)-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol;(1R,2S,3R,5S)-5-ethyl-2-fluoro-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;2,4,6-trichloro-1,3,5-triazine;hydrochloride is sourced from PubChem (CID 158021575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).