9-[[4-(6-aminopyrimidin-4-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;ethoxyethane;7-methyl-9-[[4-(1-methylpyrrol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one

C117H125N23O6 — CID 167686290

IUPAC9-[[4-(6-aminopyrimidin-4-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;ethoxyethane;7-methyl-9-[[4-(1-methylpyrrol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cc(N)ncn3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3ccc(CCN(C)C)cc3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cccn3C)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cnn4c3COCC4)cc1)c(=O)n2C.CCOCC
InChIInChI=1S/C32H35N5O.C28H28N6O2.C27H27N5O.C26H25N7O.C4H10O/c1-22(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;1-18(2)21-6-4-5-7-22(21)26-29-15-24-27(31-26)33(28(35)32(24)3)16-19-8-10-20(11-9-19)23-14-30-34-12-13-36-17-25(23)34;1-18(2)21-8-5-6-9-22(21)25-28-16-24-26(29-25)32(27(33)31(24)4)17-19-11-13-20(14-12-19)23-10-7-15-30(23)3;1-16(2)19-6-4-5-7-20(19)24-28-13-22-25(31-24)33(26(34)32(22)3)14-17-8-10-18(11-9-17)21-12-23(27)30-15-29-21;1-3-5-4-2/h6-17,20,22H,18-19,21H2,1-5H3;4-11,14-15,18H,12-13,16-17H2,1-3H3;5-16,18H,17H2,1-4H3;4-13,15-16H,14H2,1-3H3,(H2,27,29,30);3-4H2,1-2H3
InChIKeyWGPOQEGSPCMJCF-UHFFFAOYSA-N
MW1949.44 g/mol
LogP20.13
Rot. Bonds25

About 9-[[4-(6-aminopyrimidin-4-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;ethoxyethane;7-methyl-9-[[4-(1-methylpyrrol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one

9-[[4-(6-aminopyrimidin-4-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;ethoxyethane;7-methyl-9-[[4-(1-methylpyrrol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one (PubChem CID 167686290) has the molecular formula C117H125N23O6 and a molecular weight of 1949.44 g/mol. Its IUPAC name is 9-[[4-(6-aminopyrimidin-4-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;ethoxyethane;7-methyl-9-[[4-(1-methylpyrrol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one.

Molecular Properties

Compound Name9-[[4-(6-aminopyrimidin-4-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;ethoxyethane;7-methyl-9-[[4-(1-methylpyrrol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one
PubChem CID167686290
Molecular FormulaC117H125N23O6
Molecular Weight1949.44 g/mol
Exact Mass1948.02
IUPAC Name9-[[4-(6-aminopyrimidin-4-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;ethoxyethane;7-methyl-9-[[4-(1-methylpyrrol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one
SMILESCC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cc(N)ncn3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3ccc(CCN(C)C)cc3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cccn3C)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cnn4c3COCC4)cc1)c(=O)n2C.CCOCC
InChIInChI=1S/C32H35N5O.C28H28N6O2.C27H27N5O.C26H25N7O.C4H10O/c1-22(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;1-18(2)21-6-4-5-7-22(21)26-29-15-24-27(31-26)33(28(35)32(24)3)16-19-8-10-20(11-9-19)23-14-30-34-12-13-36-17-25(23)34;1-18(2)21-8-5-6-9-22(21)25-28-16-24-26(29-25)32(27(33)31(24)4)17-19-11-13-20(14-12-19)23-10-7-15-30(23)3;1-16(2)19-6-4-5-7-20(19)24-28-13-22-25(31-24)33(26(34)32(22)3)14-17-8-10-18(11-9-17)21-12-23(27)30-15-29-21;1-3-5-4-2/h6-17,20,22H,18-19,21H2,1-5H3;4-11,14-15,18H,12-13,16-17H2,1-3H3;5-16,18H,17H2,1-4H3;4-13,15-16H,14H2,1-3H3,(H2,27,29,30);3-4H2,1-2H3
InChIKeyWGPOQEGSPCMJCF-UHFFFAOYSA-N
XLogP20.13
TPSA307.09 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001949.44
LogP ≤ 520.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze 9-[[4-(6-aminopyrimidin-4-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;ethoxyethane;7-methyl-9-[[4-(1-methylpyrrol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one with MolForge

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Related Compounds

9-(4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-
CID 129140034
N-[2-[[[4-[3-[[2-[[[4-[3-[[2-[[3-[[2-[(2-fluoro-2-methylpropoxy)-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-methylpyrazol-1-yl]methoxy-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-methylpyrazol-1-yl]oxolan-2-yl]methylamino]-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-methylpyrazol-1-yl]oxolan-2-yl]methylamino]-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N',3-dimethylbut-2-enimidamide
CID 91050275
7-[[4-(4-chloro-1-methyl-2H-imidazol-1-ium-2-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[(1R)-1-methoxyethyl]phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-methylpyrrol-1-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]cyclopropyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157082453
9-[[4-[4-(Azetidin-1-yl)-1-methylimidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;bis(9-[[4-(3,5-dimethylpyrazol-1-yl)cyclohexyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one);methane;7-methyl-9-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one
CID 157096663
7-[[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-[2-[(1S)-1-methoxyethyl]phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[(1R)-1-methoxyethyl]phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2-methylpyrrol-1-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157296634
7-[2-(Dimethylamino)ethyl]-2-(2-propan-2-ylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;9-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;methane;7-methyl-9-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]cyclopropyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 157334695
9-[[4-[3-(Azetidin-1-yl)-5-methylpyrazol-1-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;bis(9-[[4-(3,5-dimethylpyrazol-1-yl)cyclohexyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one);methane;7-methyl-9-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one
CID 157549771
7-[[4-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[5-(hydroxymethyl)-1-methylimidazol-4-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157587828
3-cyclopropyl-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-cyclopropyl-N-methyl-1-[7-methyl-3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 158202317
6-tert-butyl-1-cyclopentylpyrazolo[3,4-d]pyrimidine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[4,3-c]pyridine;6-tert-butyl-1-(1,1-difluoropropyl)pyrazolo[3,4-d]pyrimidine;2-tert-butyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;2-tert-butyl-4-(2-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-4-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;methane
CID 158483810
3-cyclopropyl-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-3-(oxan-4-yl)-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 159317607
2-[2-(2-Hydroxypropan-2-yl)phenyl]-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;methane;7-methyl-2-(2-propan-2-yl-3-pyridinyl)-9-[[4-[1-(trideuteriomethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(2-propan-2-yl-3-pyridinyl)-7-(trideuteriomethyl)-9-[[4-[1-(trideuteriomethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one
CID 159377202

Frequently Asked Questions

What is the IUPAC name of 9-[[4-(6-aminopyrimidin-4-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;ethoxyethane;7-methyl-9-[[4-(1-methylpyrrol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one?
The IUPAC name of 9-[[4-(6-aminopyrimidin-4-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;ethoxyethane;7-methyl-9-[[4-(1-methylpyrrol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one (CID 167686290) is 9-[[4-(6-aminopyrimidin-4-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;ethoxyethane;7-methyl-9-[[4-(1-methylpyrrol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one.
What is the SMILES notation for 9-[[4-(6-aminopyrimidin-4-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;ethoxyethane;7-methyl-9-[[4-(1-methylpyrrol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one?
The canonical SMILES for 9-[[4-(6-aminopyrimidin-4-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;ethoxyethane;7-methyl-9-[[4-(1-methylpyrrol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one is CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cc(N)ncn3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3ccc(CCN(C)C)cc3)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cccn3C)cc1)c(=O)n2C.CC(C)c1ccccc1-c1ncc2c(n1)n(Cc1ccc(-c3cnn4c3COCC4)cc1)c(=O)n2C.CCOCC.
What is the InChIKey of 9-[[4-(6-aminopyrimidin-4-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;ethoxyethane;7-methyl-9-[[4-(1-methylpyrrol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one?
The InChIKey is WGPOQEGSPCMJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O.C28H28N6O2.C27H27N5O.C26H25N7O.C4H10O/c1-22(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;1-18(2)21-6-4-5-7-22(21)26-29-15-24-27(31-26)33(28(35)32(24)3)16-19-8-10-20(11-9-19)23-14-30-34-12-13-36-17-25(23)34;1-18(2)21-8-5-6-9-22(21)25-28-16-24-26(29-25)32(27(33)31(24)4)17-19-11-13-20(14-12-19)23-10-7-15-30(23)3;1-16(2)19-6-4-5-7-20(19)24-28-13-22-25(31-24)33(26(34)32(22)3)14-17-8-10-18(11-9-17)21-12-23(27)30-15-29-21;1-3-5-4-2/h6-17,20,22H,18-19,21H2,1-5H3;4-11,14-15,18H,12-13,16-17H2,1-3H3;5-16,18H,17H2,1-4H3;4-13,15-16H,14H2,1-3H3,(H2,27,29,30);3-4H2,1-2H3.
What are the key properties of 9-[[4-(6-aminopyrimidin-4-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;ethoxyethane;7-methyl-9-[[4-(1-methylpyrrol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one?
9-[[4-(6-aminopyrimidin-4-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;ethoxyethane;7-methyl-9-[[4-(1-methylpyrrol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one has a molecular weight of 1949.44 g/mol, XLogP of 20.13, 25 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-(6-aminopyrimidin-4-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;9-[[4-[4-[2-(dimethylamino)ethyl]phenyl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;ethoxyethane;7-methyl-9-[[4-(1-methylpyrrol-2-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one is sourced from PubChem (CID 167686290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).