bis(6-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-5-propan-2-ylpyrimidin-4-one);3-(2,3-dichlorophenyl)-6-[4-[(2-hydroxy-3-methoxypropyl)amino]piperidin-1-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3R)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3S)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one

C109H139Cl10F3N18O11 — CID 162086030

IUPACbis(6-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-5-propan-2-ylpyrimidin-4-one);3-(2,3-dichlorophenyl)-6-[4-[(2-hydroxy-3-methoxypropyl)amino]piperidin-1-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3R)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3S)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one
SMILESCC[C@@H](O)CCC1CCN(c2cc(=O)n(-c3cccc(Cl)c3Cl)c(C)n2)CC1.CC[C@H](O)CCC1CCN(c2cc(=O)n(-c3cccc(Cl)c3Cl)c(C)n2)CC1.COCC(O)CNC1CCN(c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C(F)(F)F)CC1.Cc1nc(N2CCC3(CC2)CO[C@H](C)[C@@H]3N)c(C(C)C)c(=O)n1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@H](C)[C@@H]3N)c(C(C)C)c(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/2C23H30Cl2N4O2.C21H25Cl2F3N4O3.2C21H27Cl2N3O2/c2*1-13(2)18-21(28-10-8-23(9-11-28)12-31-14(3)20(23)26)27-15(4)29(22(18)30)17-7-5-6-16(24)19(17)25;1-12-28-19(29-8-6-13(7-9-29)27-10-14(31)11-33-2)17(21(24,25)26)20(32)30(12)16-5-3-4-15(22)18(16)23;2*1-3-16(27)8-7-15-9-11-25(12-10-15)19-13-20(28)26(14(2)24-19)18-6-4-5-17(22)21(18)23/h2*5-7,13-14,20H,8-12,26H2,1-4H3;3-5,13-14,27,31H,6-11H2,1-2H3;2*4-6,13,15-16,27H,3,7-12H2,1-2H3/t2*14-,20+;;2*16-/m11.10/s1
InChIKeyZCYUROMVEHYDDG-YMTRTCQPSA-N
MW2288.95 g/mol
LogP21.27
Rot. Bonds25

About bis(6-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-5-propan-2-ylpyrimidin-4-one);3-(2,3-dichlorophenyl)-6-[4-[(2-hydroxy-3-methoxypropyl)amino]piperidin-1-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3R)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3S)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one

bis(6-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-5-propan-2-ylpyrimidin-4-one);3-(2,3-dichlorophenyl)-6-[4-[(2-hydroxy-3-methoxypropyl)amino]piperidin-1-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3R)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3S)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one (PubChem CID 162086030) has the molecular formula C109H139Cl10F3N18O11 and a molecular weight of 2288.95 g/mol. Its IUPAC name is bis(6-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-5-propan-2-ylpyrimidin-4-one);3-(2,3-dichlorophenyl)-6-[4-[(2-hydroxy-3-methoxypropyl)amino]piperidin-1-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3R)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3S)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Namebis(6-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-5-propan-2-ylpyrimidin-4-one);3-(2,3-dichlorophenyl)-6-[4-[(2-hydroxy-3-methoxypropyl)amino]piperidin-1-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3R)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3S)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one
PubChem CID162086030
Molecular FormulaC109H139Cl10F3N18O11
Molecular Weight2288.95 g/mol
Exact Mass2282.77
IUPAC Namebis(6-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-5-propan-2-ylpyrimidin-4-one);3-(2,3-dichlorophenyl)-6-[4-[(2-hydroxy-3-methoxypropyl)amino]piperidin-1-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3R)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3S)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one
SMILESCC[C@@H](O)CCC1CCN(c2cc(=O)n(-c3cccc(Cl)c3Cl)c(C)n2)CC1.CC[C@H](O)CCC1CCN(c2cc(=O)n(-c3cccc(Cl)c3Cl)c(C)n2)CC1.COCC(O)CNC1CCN(c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C(F)(F)F)CC1.Cc1nc(N2CCC3(CC2)CO[C@H](C)[C@@H]3N)c(C(C)C)c(=O)n1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@H](C)[C@@H]3N)c(C(C)C)c(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/2C23H30Cl2N4O2.C21H25Cl2F3N4O3.2C21H27Cl2N3O2/c2*1-13(2)18-21(28-10-8-23(9-11-28)12-31-14(3)20(23)26)27-15(4)29(22(18)30)17-7-5-6-16(24)19(17)25;1-12-28-19(29-8-6-13(7-9-29)27-10-14(31)11-33-2)17(21(24,25)26)20(32)30(12)16-5-3-4-15(22)18(16)23;2*1-3-16(27)8-7-15-9-11-25(12-10-15)19-13-20(28)26(14(2)24-19)18-6-4-5-17(22)21(18)23/h2*5-7,13-14,20H,8-12,26H2,1-4H3;3-5,13-14,27,31H,6-11H2,1-2H3;2*4-6,13,15-16,27H,3,7-12H2,1-2H3/t2*14-,20+;;2*16-/m11.10/s1
InChIKeyZCYUROMVEHYDDG-YMTRTCQPSA-N
XLogP21.27
TPSA343.10 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002288.95
LogP ≤ 521.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze bis(6-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-5-propan-2-ylpyrimidin-4-one);3-(2,3-dichlorophenyl)-6-[4-[(2-hydroxy-3-methoxypropyl)amino]piperidin-1-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3R)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3S)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-5-methoxy-2-methylpyrimidin-4-one
CID 155184139
6-[(3R,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 162369004
6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 157300798
6-[(3R,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichloro-6-fluorophenyl)-2-methylpyrimidin-4-one
CID 162369005
6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[(5S)-5,6-dichlorocyclohexa-1,3-dien-1-yl]-2-methyl-5-propan-2-ylpyrimidin-4-one
CID 155184172
6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-methyl-3-phenylpyrimidin-4-one
CID 155165157
7-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-1H-pteridine-2,4-dione
CID 171473451
6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2-chloro-3-methoxycyclohexa-1,3-dien-1-yl)-2-methylpyrimidin-4-one
CID 146364662
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(2,3-dichlorophenyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-one;methanamine
CID 155709858
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one
CID 158026583
[1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl]carbamic acid
CID 146345882
6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]-2-methylpyrimidin-4-one
CID 146364423

Frequently Asked Questions

What is the IUPAC name of bis(6-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-5-propan-2-ylpyrimidin-4-one);3-(2,3-dichlorophenyl)-6-[4-[(2-hydroxy-3-methoxypropyl)amino]piperidin-1-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3R)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3S)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one?
The IUPAC name of bis(6-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-5-propan-2-ylpyrimidin-4-one);3-(2,3-dichlorophenyl)-6-[4-[(2-hydroxy-3-methoxypropyl)amino]piperidin-1-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3R)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3S)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one (CID 162086030) is bis(6-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-5-propan-2-ylpyrimidin-4-one);3-(2,3-dichlorophenyl)-6-[4-[(2-hydroxy-3-methoxypropyl)amino]piperidin-1-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3R)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3S)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one.
What is the SMILES notation for bis(6-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-5-propan-2-ylpyrimidin-4-one);3-(2,3-dichlorophenyl)-6-[4-[(2-hydroxy-3-methoxypropyl)amino]piperidin-1-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3R)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3S)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one?
The canonical SMILES for bis(6-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-5-propan-2-ylpyrimidin-4-one);3-(2,3-dichlorophenyl)-6-[4-[(2-hydroxy-3-methoxypropyl)amino]piperidin-1-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3R)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3S)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one is CC[C@@H](O)CCC1CCN(c2cc(=O)n(-c3cccc(Cl)c3Cl)c(C)n2)CC1.CC[C@H](O)CCC1CCN(c2cc(=O)n(-c3cccc(Cl)c3Cl)c(C)n2)CC1.COCC(O)CNC1CCN(c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C(F)(F)F)CC1.Cc1nc(N2CCC3(CC2)CO[C@H](C)[C@@H]3N)c(C(C)C)c(=O)n1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)CO[C@H](C)[C@@H]3N)c(C(C)C)c(=O)n1-c1cccc(Cl)c1Cl.
What is the InChIKey of bis(6-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-5-propan-2-ylpyrimidin-4-one);3-(2,3-dichlorophenyl)-6-[4-[(2-hydroxy-3-methoxypropyl)amino]piperidin-1-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3R)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3S)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one?
The InChIKey is ZCYUROMVEHYDDG-YMTRTCQPSA-N. The full InChI is InChI=1S/2C23H30Cl2N4O2.C21H25Cl2F3N4O3.2C21H27Cl2N3O2/c2*1-13(2)18-21(28-10-8-23(9-11-28)12-31-14(3)20(23)26)27-15(4)29(22(18)30)17-7-5-6-16(24)19(17)25;1-12-28-19(29-8-6-13(7-9-29)27-10-14(31)11-33-2)17(21(24,25)26)20(32)30(12)16-5-3-4-15(22)18(16)23;2*1-3-16(27)8-7-15-9-11-25(12-10-15)19-13-20(28)26(14(2)24-19)18-6-4-5-17(22)21(18)23/h2*5-7,13-14,20H,8-12,26H2,1-4H3;3-5,13-14,27,31H,6-11H2,1-2H3;2*4-6,13,15-16,27H,3,7-12H2,1-2H3/t2*14-,20+;;2*16-/m11.10/s1.
What are the key properties of bis(6-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-5-propan-2-ylpyrimidin-4-one);3-(2,3-dichlorophenyl)-6-[4-[(2-hydroxy-3-methoxypropyl)amino]piperidin-1-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3R)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3S)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one?
bis(6-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-5-propan-2-ylpyrimidin-4-one);3-(2,3-dichlorophenyl)-6-[4-[(2-hydroxy-3-methoxypropyl)amino]piperidin-1-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3R)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3S)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one has a molecular weight of 2288.95 g/mol, XLogP of 21.27, 25 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-5-propan-2-ylpyrimidin-4-one);3-(2,3-dichlorophenyl)-6-[4-[(2-hydroxy-3-methoxypropyl)amino]piperidin-1-yl]-2-methyl-5-(trifluoromethyl)pyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3R)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one;3-(2,3-dichlorophenyl)-6-[4-[(3S)-3-hydroxypentyl]piperidin-1-yl]-2-methylpyrimidin-4-one is sourced from PubChem (CID 162086030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).