bis(3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol);3-(8-methyl-2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol

C99H109N25O11S2 — CID 162152300

IUPACbis(3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol);3-(8-methyl-2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol
SMILESCCC(C)n1c(C)nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.CCC(C)n1c(C)nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.Cc1nc2nc(N3CCOCC3)nc(-c3cccc(O)c3)c2[nH]1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2nc(-c2cccs2)n3C2CCCCO2)c1.Oc1cccc(-c2nc(N3CCOCC3)nc3nc(-c4cccs4)[nH]c23)c1
InChIInChI=1S/C24H25N5O3S.2C20H25N5O2.C19H17N5O2S.C16H17N5O2/c30-17-6-3-5-16(15-17)20-21-23(27-24(26-20)28-9-12-31-13-10-28)29(19-8-1-2-11-32-19)22(25-21)18-7-4-14-33-18;2*1-4-13(2)25-14(3)21-18-17(15-6-5-7-16(26)12-15)22-20(23-19(18)25)24-8-10-27-11-9-24;25-13-4-1-3-12(11-13)15-16-18(22-17(20-16)14-5-2-10-27-14)23-19(21-15)24-6-8-26-9-7-24;1-10-17-14-13(11-3-2-4-12(22)9-11)19-16(20-15(14)18-10)21-5-7-23-8-6-21/h3-7,14-15,19,30H,1-2,8-13H2;2*5-7,12-13,26H,4,8-11H2,1-3H3;1-5,10-11,25H,6-9H2,(H,20,21,22,23);2-4,9,22H,5-8H2,1H3,(H,17,18,19,20)
InChIKeyZLJJEDXVFHYNEY-UHFFFAOYSA-N
MW1889.26 g/mol
LogP16.25
Rot. Bonds17

About bis(3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol);3-(8-methyl-2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol

bis(3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol);3-(8-methyl-2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol (PubChem CID 162152300) has the molecular formula C99H109N25O11S2 and a molecular weight of 1889.26 g/mol. Its IUPAC name is bis(3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol);3-(8-methyl-2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol.

Molecular Properties

Compound Namebis(3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol);3-(8-methyl-2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol
PubChem CID162152300
Molecular FormulaC99H109N25O11S2
Molecular Weight1889.26 g/mol
Exact Mass1887.82
IUPAC Namebis(3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol);3-(8-methyl-2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol
SMILESCCC(C)n1c(C)nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.CCC(C)n1c(C)nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.Cc1nc2nc(N3CCOCC3)nc(-c3cccc(O)c3)c2[nH]1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2nc(-c2cccs2)n3C2CCCCO2)c1.Oc1cccc(-c2nc(N3CCOCC3)nc3nc(-c4cccs4)[nH]c23)c1
InChIInChI=1S/C24H25N5O3S.2C20H25N5O2.C19H17N5O2S.C16H17N5O2/c30-17-6-3-5-16(15-17)20-21-23(27-24(26-20)28-9-12-31-13-10-28)29(19-8-1-2-11-32-19)22(25-21)18-7-4-14-33-18;2*1-4-13(2)25-14(3)21-18-17(15-6-5-7-16(26)12-15)22-20(23-19(18)25)24-8-10-27-11-9-24;25-13-4-1-3-12(11-13)15-16-18(22-17(20-16)14-5-2-10-27-14)23-19(21-15)24-6-8-26-9-7-24;1-10-17-14-13(11-3-2-4-12(22)9-11)19-16(20-15(14)18-10)21-5-7-23-8-6-21/h3-7,14-15,19,30H,1-2,8-13H2;2*5-7,12-13,26H,4,8-11H2,1-3H3;1-5,10-11,25H,6-9H2,(H,20,21,22,23);2-4,9,22H,5-8H2,1H3,(H,17,18,19,20)
InChIKeyZLJJEDXVFHYNEY-UHFFFAOYSA-N
XLogP16.25
TPSA412.45 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds17
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001889.26
LogP ≤ 516.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Analyze bis(3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol);3-(8-methyl-2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol with MolForge

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Launch Full Analysis

Related Compounds

4-[2-[[2-[5-[5-[2-[[2-(1-benzothiophen-3-yl)-9-(oxetan-3-yl)purin-6-yl]amino]ethyl]-2-hydroxyphenyl]-3-pyridinyl]-9-propan-2-ylpurin-6-yl]amino]ethyl]-2-[5-[6-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-9-propan-2-ylpurin-2-yl]-3-pyridinyl]-6-methylphenol
CID 91079440
3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol
CID 25255260
3-[2-Morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol
CID 58102426
3-[6-[(4-Aminopiperidin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol;3-[6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 118510331
3-(9-Cyclopentyl-2-morpholin-4-ylpurin-6-yl)phenol;3-[9-[[3-[(methyl-methylidene-oxo-lambda6-sulfanyl)methyl]phenyl]methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-9-prop-2-ynylpurin-6-yl)phenol
CID 123135909
bis(3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol);3-(8-methyl-2-morpholin-4-yl-7H-purin-6-yl)phenol
CID 123311520
3-[9-Butan-2-yl-8-(methyl-methylidene-oxo-lambda6-sulfanyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol;5-(9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyridin-2-amine;5-(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)pyridin-2-amine;5-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]pyridin-2-amine
CID 124025769
3-[8-bromo-2-[2-[3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-yl-7,8-dihydropurin-6-yl]phenoxy]morpholin-4-yl]-7H-purin-6-yl]phenol
CID 143785469
3-[2-[2-[3-[8-benzyl-2-morpholin-4-yl-9-(oxan-2-yl)purin-6-yl]phenoxy]morpholin-4-yl]-8-thiophen-2-yl-7H-purin-6-yl]phenol
CID 143785474
3-(8-bromo-9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)phenol;3-(8-bromo-2-morpholin-4-yl-7H-purin-6-yl)phenol;3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol;3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol
CID 157290177
3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;3-(9-methyl-2-morpholin-4-ylpurin-6-yl)phenol;3-(2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(pyridin-3-ylmethyl)purin-6-yl]phenol
CID 158936438
[4-[4-amino-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-7-yl]phenyl]methanol;7-(3-methoxyphenyl)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-(4-methylphenyl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-2-yl-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepyrrolidin-1-yl)methyl]-7-thiophen-3-yl-3H-imidazo[4,5-c]quinolin-4-amine
CID 159360258

Frequently Asked Questions

What is the IUPAC name of bis(3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol);3-(8-methyl-2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol?
The IUPAC name of bis(3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol);3-(8-methyl-2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol (CID 162152300) is bis(3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol);3-(8-methyl-2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol.
What is the SMILES notation for bis(3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol);3-(8-methyl-2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol?
The canonical SMILES for bis(3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol);3-(8-methyl-2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol is CCC(C)n1c(C)nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.CCC(C)n1c(C)nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.Cc1nc2nc(N3CCOCC3)nc(-c3cccc(O)c3)c2[nH]1.Oc1cccc(-c2nc(N3CCOCC3)nc3c2nc(-c2cccs2)n3C2CCCCO2)c1.Oc1cccc(-c2nc(N3CCOCC3)nc3nc(-c4cccs4)[nH]c23)c1.
What is the InChIKey of bis(3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol);3-(8-methyl-2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol?
The InChIKey is ZLJJEDXVFHYNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S.2C20H25N5O2.C19H17N5O2S.C16H17N5O2/c30-17-6-3-5-16(15-17)20-21-23(27-24(26-20)28-9-12-31-13-10-28)29(19-8-1-2-11-32-19)22(25-21)18-7-4-14-33-18;2*1-4-13(2)25-14(3)21-18-17(15-6-5-7-16(26)12-15)22-20(23-19(18)25)24-8-10-27-11-9-24;25-13-4-1-3-12(11-13)15-16-18(22-17(20-16)14-5-2-10-27-14)23-19(21-15)24-6-8-26-9-7-24;1-10-17-14-13(11-3-2-4-12(22)9-11)19-16(20-15(14)18-10)21-5-7-23-8-6-21/h3-7,14-15,19,30H,1-2,8-13H2;2*5-7,12-13,26H,4,8-11H2,1-3H3;1-5,10-11,25H,6-9H2,(H,20,21,22,23);2-4,9,22H,5-8H2,1H3,(H,17,18,19,20).
What are the key properties of bis(3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol);3-(8-methyl-2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol?
bis(3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol);3-(8-methyl-2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol has a molecular weight of 1889.26 g/mol, XLogP of 16.25, 17 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-(9-butan-2-yl-8-methyl-2-morpholin-4-ylpurin-6-yl)phenol);3-(8-methyl-2-morpholin-4-yl-7H-purin-6-yl)phenol;3-[2-morpholin-4-yl-9-(oxan-2-yl)-8-thiophen-2-ylpurin-6-yl]phenol;3-(2-morpholin-4-yl-8-thiophen-2-yl-7H-purin-6-yl)phenol is sourced from PubChem (CID 162152300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).