9-[[4-[3-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-[2-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one

C128H139N19O7 — CID 159174455

IUPAC9-[[4-[3-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-[2-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3ccccc3OCCN(C)C)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3ccc(CCN(C)C)cc3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3ccc(OCCN(C)C)cc3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cccc(OCCN(C)C)c3)cc1)c(=O)n2C
InChIInChI=1S/2C32H35N5O2.C32H35N5O.C32H34N4O2/c1-22(2)27-11-6-7-12-28(27)30-33-20-29-31(34-30)37(32(38)36(29)5)21-23-13-15-24(16-14-23)25-9-8-10-26(19-25)39-18-17-35(3)4;1-22(2)27-8-6-7-9-28(27)30-33-20-29-31(34-30)37(32(38)36(29)5)21-23-10-12-24(13-11-23)25-14-16-26(17-15-25)39-19-18-35(3)4;1-22(2)27-8-6-7-9-28(27)30-33-20-29-31(34-30)37(32(38)36(29)5)21-24-12-16-26(17-13-24)25-14-10-23(11-15-25)18-19-35(3)4;1-22(2)26-9-5-6-11-28(26)31-33-20-25-19-30(37)36(32(25)34-31)21-23-13-15-24(16-14-23)27-10-7-8-12-29(27)38-18-17-35(3)4/h6-16,19-20,22H,17-18,21H2,1-5H3;6-17,20,22H,18-19,21H2,1-5H3;6-17,20,22H,18-19,21H2,1-5H3;5-16,20,22H,17-19,21H2,1-4H3
InChIKeyKMCHTBGTIXTXCC-UHFFFAOYSA-N
MW2055.65 g/mol
LogP22.86
Rot. Bonds35

About 9-[[4-[3-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-[2-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one

9-[[4-[3-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-[2-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one (PubChem CID 159174455) has the molecular formula C128H139N19O7 and a molecular weight of 2055.65 g/mol. Its IUPAC name is 9-[[4-[3-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-[2-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one.

Molecular Properties

Compound Name9-[[4-[3-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-[2-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one
PubChem CID159174455
Molecular FormulaC128H139N19O7
Molecular Weight2055.65 g/mol
Exact Mass2054.11
IUPAC Name9-[[4-[3-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-[2-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3ccccc3OCCN(C)C)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3ccc(CCN(C)C)cc3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3ccc(OCCN(C)C)cc3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cccc(OCCN(C)C)c3)cc1)c(=O)n2C
InChIInChI=1S/2C32H35N5O2.C32H35N5O.C32H34N4O2/c1-22(2)27-11-6-7-12-28(27)30-33-20-29-31(34-30)37(32(38)36(29)5)21-23-13-15-24(16-14-23)25-9-8-10-26(19-25)39-18-17-35(3)4;1-22(2)27-8-6-7-9-28(27)30-33-20-29-31(34-30)37(32(38)36(29)5)21-23-10-12-24(13-11-23)25-14-16-26(17-15-25)39-19-18-35(3)4;1-22(2)27-8-6-7-9-28(27)30-33-20-29-31(34-30)37(32(38)36(29)5)21-24-12-16-26(17-13-24)25-14-10-23(11-15-25)18-19-35(3)4;1-22(2)26-9-5-6-11-28(26)31-33-20-25-19-30(37)36(32(25)34-31)21-23-13-15-24(16-14-23)27-10-7-8-12-29(27)38-18-17-35(3)4/h6-16,19-20,22H,17-18,21H2,1-5H3;6-17,20,22H,18-19,21H2,1-5H3;6-17,20,22H,18-19,21H2,1-5H3;5-16,20,22H,17-19,21H2,1-4H3
InChIKeyKMCHTBGTIXTXCC-UHFFFAOYSA-N
XLogP22.86
TPSA244.87 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds35
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002055.65
LogP ≤ 522.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 9-[[4-[3-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-[2-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one with MolForge

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Related Compounds

9-[[4-[3-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one
CID 129139963
9-[[4-[2-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[3-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(1,4-dimethylimidazol-2-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one
CID 167656809
7-[[4-[4-(dimethylamino)butanoyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157394842
7-[[4-(1-propan-2-ylimidazol-4-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158016717
7-methyl-2-(2-propan-2-ylphenyl)-9-[[4-(3H-pyrrol-2-yl)phenyl]methyl]purin-8-one
CID 158427902
2-(2-ethoxy-3-pyridinyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(4-propan-2-yl-3-pyridinyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;7-[(4-pyrazol-1-ylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167696373
7-[[4-(5-methyltetrazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160815590
7-methyl-9-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one
CID 129140086
7-[[4-[1-methyl-5-(1-methylpiperidin-4-yl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158547040
9-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(2-propan-2-ylphenyl)-7H-purin-8-one
CID 164939457
7-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158042379
methyl-[4-[[7-methyl-8-oxo-2-(2-propan-2-ylphenyl)purin-9-yl]methyl]phenyl]carbamic acid
CID 129139446

Frequently Asked Questions

What is the IUPAC name of 9-[[4-[3-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-[2-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one?
The IUPAC name of 9-[[4-[3-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-[2-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one (CID 159174455) is 9-[[4-[3-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-[2-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one.
What is the SMILES notation for 9-[[4-[3-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-[2-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one?
The canonical SMILES for 9-[[4-[3-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-[2-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one is CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(-c3ccccc3OCCN(C)C)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3ccc(CCN(C)C)cc3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3ccc(OCCN(C)C)cc3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cccc(OCCN(C)C)c3)cc1)c(=O)n2C.
What is the InChIKey of 9-[[4-[3-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-[2-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one?
The InChIKey is KMCHTBGTIXTXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H35N5O2.C32H35N5O.C32H34N4O2/c1-22(2)27-11-6-7-12-28(27)30-33-20-29-31(34-30)37(32(38)36(29)5)21-23-13-15-24(16-14-23)25-9-8-10-26(19-25)39-18-17-35(3)4;1-22(2)27-8-6-7-9-28(27)30-33-20-29-31(34-30)37(32(38)36(29)5)21-23-10-12-24(13-11-23)25-14-16-26(17-15-25)39-19-18-35(3)4;1-22(2)27-8-6-7-9-28(27)30-33-20-29-31(34-30)37(32(38)36(29)5)21-24-12-16-26(17-13-24)25-14-10-23(11-15-25)18-19-35(3)4;1-22(2)26-9-5-6-11-28(26)31-33-20-25-19-30(37)36(32(25)34-31)21-23-13-15-24(16-14-23)27-10-7-8-12-29(27)38-18-17-35(3)4/h6-16,19-20,22H,17-18,21H2,1-5H3;6-17,20,22H,18-19,21H2,1-5H3;6-17,20,22H,18-19,21H2,1-5H3;5-16,20,22H,17-19,21H2,1-4H3.
What are the key properties of 9-[[4-[3-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-[2-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one?
9-[[4-[3-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-[2-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one has a molecular weight of 2055.65 g/mol, XLogP of 22.86, 35 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-[3-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;7-[[4-[2-[2-(dimethylamino)ethoxy]phenyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one is sourced from PubChem (CID 159174455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).