(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;[(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethyl] acetate;(2S)-2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[[5-(furan-3-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol;(2S)-2-phenyl-2-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol

C106H86Br2ClN15O12 — CID 160728187

IUPAC(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;[(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethyl] acetate;(2S)-2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[[5-(furan-3-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol;(2S)-2-phenyl-2-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCC(=O)OC[C@@H](Nc1ncnc2oc(-c3ccccc3)c(Br)c12)c1ccccc1.OC[C@@H](Nc1ncnc2oc(-c3ccccc3)c(-c3ccoc3)c12)c1ccccc1.OC[C@@H](Nc1ncnc2oc(-c3ccccc3)c(Br)c12)c1ccccc1.OC[C@@H](Nc1ncnc2oc(-c3ccccc3)c(Cl)c12)c1ccccc1.OC[C@@H](Nc1ncnc2oc(-c3ccccc3)cc12)c1ccccc1
InChIInChI=1S/C24H19N3O3.C22H18BrN3O3.C20H16BrN3O2.C20H16ClN3O2.C20H17N3O2/c28-13-19(16-7-3-1-4-8-16)27-23-21-20(18-11-12-29-14-18)22(17-9-5-2-6-10-17)30-24(21)26-15-25-23;1-14(27)28-12-17(15-8-4-2-5-9-15)26-21-18-19(23)20(16-10-6-3-7-11-16)29-22(18)25-13-24-21;2*21-17-16-19(24-15(11-25)13-7-3-1-4-8-13)22-12-23-20(16)26-18(17)14-9-5-2-6-10-14;24-12-17(14-7-3-1-4-8-14)23-19-16-11-18(15-9-5-2-6-10-15)25-20(16)22-13-21-19/h1-12,14-15,19,28H,13H2,(H,25,26,27);2-11,13,17H,12H2,1H3,(H,24,25,26);2*1-10,12,15,25H,11H2,(H,22,23,24);1-11,13,17,24H,12H2,(H,21,22,23)/t19-;17-;2*15-;17-/m11111/s1
InChIKeyRTZGDIVRVLOAFB-FTFZFNPHSA-N
MW1957.21 g/mol
LogP24.19
Rot. Bonds27

About (2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;[(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethyl] acetate;(2S)-2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[[5-(furan-3-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol;(2S)-2-phenyl-2-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol

(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;[(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethyl] acetate;(2S)-2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[[5-(furan-3-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol;(2S)-2-phenyl-2-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 160728187) has the molecular formula C106H86Br2ClN15O12 and a molecular weight of 1957.21 g/mol. Its IUPAC name is (2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;[(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethyl] acetate;(2S)-2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[[5-(furan-3-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol;(2S)-2-phenyl-2-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;[(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethyl] acetate;(2S)-2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[[5-(furan-3-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol;(2S)-2-phenyl-2-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID160728187
Molecular FormulaC106H86Br2ClN15O12
Molecular Weight1957.21 g/mol
Exact Mass1953.46
IUPAC Name(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;[(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethyl] acetate;(2S)-2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[[5-(furan-3-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol;(2S)-2-phenyl-2-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCC(=O)OC[C@@H](Nc1ncnc2oc(-c3ccccc3)c(Br)c12)c1ccccc1.OC[C@@H](Nc1ncnc2oc(-c3ccccc3)c(-c3ccoc3)c12)c1ccccc1.OC[C@@H](Nc1ncnc2oc(-c3ccccc3)c(Br)c12)c1ccccc1.OC[C@@H](Nc1ncnc2oc(-c3ccccc3)c(Cl)c12)c1ccccc1.OC[C@@H](Nc1ncnc2oc(-c3ccccc3)cc12)c1ccccc1
InChIInChI=1S/C24H19N3O3.C22H18BrN3O3.C20H16BrN3O2.C20H16ClN3O2.C20H17N3O2/c28-13-19(16-7-3-1-4-8-16)27-23-21-20(18-11-12-29-14-18)22(17-9-5-2-6-10-17)30-24(21)26-15-25-23;1-14(27)28-12-17(15-8-4-2-5-9-15)26-21-18-19(23)20(16-10-6-3-7-11-16)29-22(18)25-13-24-21;2*21-17-16-19(24-15(11-25)13-7-3-1-4-8-13)22-12-23-20(16)26-18(17)14-9-5-2-6-10-14;24-12-17(14-7-3-1-4-8-14)23-19-16-11-18(15-9-5-2-6-10-15)25-20(16)22-13-21-19/h1-12,14-15,19,28H,13H2,(H,25,26,27);2-11,13,17H,12H2,1H3,(H,24,25,26);2*1-10,12,15,25H,11H2,(H,22,23,24);1-11,13,17,24H,12H2,(H,21,22,23)/t19-;17-;2*15-;17-/m11111/s1
InChIKeyRTZGDIVRVLOAFB-FTFZFNPHSA-N
XLogP24.19
TPSA375.11 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds27
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001957.21
LogP ≤ 524.19
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze (2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;[(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethyl] acetate;(2S)-2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[[5-(furan-3-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol;(2S)-2-phenyl-2-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol
CID 134155401
(2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 59322556
(2S)-2-[[5-(3-nitrophenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 46855360
[(2S)-2-phenyl-2-[[6-phenyl-5-[3-(prop-2-enoylamino)phenyl]furo[2,3-d]pyrimidin-4-yl]amino]ethyl] prop-2-enoate
CID 59322656
(3R)-3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol
CID 134154708
(E)-4-(dimethylamino)-N-[3-[4-[(2-hydroxy-1-phenylethyl)amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide
CID 68593347
(2S)-2-[[5-[3-[[(E)-4-(dimethylamino)but-2-enoxy]amino]phenyl]-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 89065812
N-[4-[6-[4-[2-(dimethylamino)ethoxy]phenyl]-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
CID 59322515
2-[3-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]phenoxy]propanoic acid
CID 67307092
2-[[5-bromo-6-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-(2-methoxyphenyl)propanoic acid
CID 135322244
ethyl (2R)-2-[[5-bromo-6-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-(2-hydroxyphenyl)propanoate
CID 140907074
methyl 6-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]hexanoate
CID 25123737

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;[(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethyl] acetate;(2S)-2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[[5-(furan-3-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol;(2S)-2-phenyl-2-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of (2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;[(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethyl] acetate;(2S)-2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[[5-(furan-3-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol;(2S)-2-phenyl-2-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 160728187) is (2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;[(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethyl] acetate;(2S)-2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[[5-(furan-3-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol;(2S)-2-phenyl-2-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for (2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;[(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethyl] acetate;(2S)-2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[[5-(furan-3-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol;(2S)-2-phenyl-2-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for (2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;[(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethyl] acetate;(2S)-2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[[5-(furan-3-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol;(2S)-2-phenyl-2-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol is CC(=O)OC[C@@H](Nc1ncnc2oc(-c3ccccc3)c(Br)c12)c1ccccc1.OC[C@@H](Nc1ncnc2oc(-c3ccccc3)c(-c3ccoc3)c12)c1ccccc1.OC[C@@H](Nc1ncnc2oc(-c3ccccc3)c(Br)c12)c1ccccc1.OC[C@@H](Nc1ncnc2oc(-c3ccccc3)c(Cl)c12)c1ccccc1.OC[C@@H](Nc1ncnc2oc(-c3ccccc3)cc12)c1ccccc1.
What is the InChIKey of (2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;[(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethyl] acetate;(2S)-2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[[5-(furan-3-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol;(2S)-2-phenyl-2-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is RTZGDIVRVLOAFB-FTFZFNPHSA-N. The full InChI is InChI=1S/C24H19N3O3.C22H18BrN3O3.C20H16BrN3O2.C20H16ClN3O2.C20H17N3O2/c28-13-19(16-7-3-1-4-8-16)27-23-21-20(18-11-12-29-14-18)22(17-9-5-2-6-10-17)30-24(21)26-15-25-23;1-14(27)28-12-17(15-8-4-2-5-9-15)26-21-18-19(23)20(16-10-6-3-7-11-16)29-22(18)25-13-24-21;2*21-17-16-19(24-15(11-25)13-7-3-1-4-8-13)22-12-23-20(16)26-18(17)14-9-5-2-6-10-14;24-12-17(14-7-3-1-4-8-14)23-19-16-11-18(15-9-5-2-6-10-15)25-20(16)22-13-21-19/h1-12,14-15,19,28H,13H2,(H,25,26,27);2-11,13,17H,12H2,1H3,(H,24,25,26);2*1-10,12,15,25H,11H2,(H,22,23,24);1-11,13,17,24H,12H2,(H,21,22,23)/t19-;17-;2*15-;17-/m11111/s1.
What are the key properties of (2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;[(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethyl] acetate;(2S)-2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[[5-(furan-3-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol;(2S)-2-phenyl-2-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol?
(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;[(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethyl] acetate;(2S)-2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[[5-(furan-3-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol;(2S)-2-phenyl-2-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 1957.21 g/mol, XLogP of 24.19, 27 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;[(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethyl] acetate;(2S)-2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[[5-(furan-3-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol;(2S)-2-phenyl-2-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 160728187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).