2-(2-ethoxy-4-phenylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-2-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-3-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-4-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyrimidin-2-ylphenyl)-1,7-dihydropurin-6-one

C90H75N25O10 — CID 157083316

IUPAC2-(2-ethoxy-4-phenylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-2-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-3-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-4-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyrimidin-2-ylphenyl)-1,7-dihydropurin-6-one
SMILESCCOc1cc(-c2ccccc2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2ccccn2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2cccnc2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2ccncc2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2ncccn2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C19H16N4O2.3C18H15N5O2.C17H14N6O2/c1-2-25-15-10-13(12-6-4-3-5-7-12)8-9-14(15)17-22-18-16(19(24)23-17)20-11-21-18;1-2-25-14-9-12(11-5-7-19-8-6-11)3-4-13(14)16-22-17-15(18(24)23-16)20-10-21-17;1-2-25-14-8-11(12-4-3-7-19-9-12)5-6-13(14)16-22-17-15(18(24)23-16)20-10-21-17;1-2-25-14-9-11(13-5-3-4-8-19-13)6-7-12(14)16-22-17-15(18(24)23-16)20-10-21-17;1-2-25-12-8-10(14-18-6-3-7-19-14)4-5-11(12)15-22-16-13(17(24)23-15)20-9-21-16/h3-11H,2H2,1H3,(H2,20,21,22,23,24);3*3-10H,2H2,1H3,(H2,20,21,22,23,24);3-9H,2H2,1H3,(H2,20,21,22,23,24)
InChIKeyADUOJJXZAFYUFC-UHFFFAOYSA-N
MW1666.75 g/mol
LogP13.87
Rot. Bonds20

About 2-(2-ethoxy-4-phenylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-2-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-3-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-4-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyrimidin-2-ylphenyl)-1,7-dihydropurin-6-one

2-(2-ethoxy-4-phenylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-2-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-3-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-4-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyrimidin-2-ylphenyl)-1,7-dihydropurin-6-one (PubChem CID 157083316) has the molecular formula C90H75N25O10 and a molecular weight of 1666.75 g/mol. Its IUPAC name is 2-(2-ethoxy-4-phenylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-2-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-3-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-4-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyrimidin-2-ylphenyl)-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-(2-ethoxy-4-phenylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-2-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-3-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-4-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyrimidin-2-ylphenyl)-1,7-dihydropurin-6-one
PubChem CID157083316
Molecular FormulaC90H75N25O10
Molecular Weight1666.75 g/mol
Exact Mass1665.61
IUPAC Name2-(2-ethoxy-4-phenylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-2-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-3-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-4-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyrimidin-2-ylphenyl)-1,7-dihydropurin-6-one
SMILESCCOc1cc(-c2ccccc2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2ccccn2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2cccnc2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2ccncc2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2ncccn2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C19H16N4O2.3C18H15N5O2.C17H14N6O2/c1-2-25-15-10-13(12-6-4-3-5-7-12)8-9-14(15)17-22-18-16(19(24)23-17)20-11-21-18;1-2-25-14-9-12(11-5-7-19-8-6-11)3-4-13(14)16-22-17-15(18(24)23-16)20-10-21-17;1-2-25-14-8-11(12-4-3-7-19-9-12)5-6-13(14)16-22-17-15(18(24)23-16)20-10-21-17;1-2-25-14-9-11(13-5-3-4-8-19-13)6-7-12(14)16-22-17-15(18(24)23-16)20-10-21-17;1-2-25-12-8-10(14-18-6-3-7-19-14)4-5-11(12)15-22-16-13(17(24)23-15)20-9-21-16/h3-11H,2H2,1H3,(H2,20,21,22,23,24);3*3-10H,2H2,1H3,(H2,20,21,22,23,24);3-9H,2H2,1H3,(H2,20,21,22,23,24)
InChIKeyADUOJJXZAFYUFC-UHFFFAOYSA-N
XLogP13.87
TPSA482.75 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001666.75
LogP ≤ 513.87
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 2-(2-ethoxy-4-phenylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-2-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-3-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-4-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyrimidin-2-ylphenyl)-1,7-dihydropurin-6-one with MolForge

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Related Compounds

methyl N-[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-(4-pyrimidin-5-ylphenyl)-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 127048244
methyl N-[(2S)-1-[(2S)-2-[5-[6-[3-(6-amino-3-pyridinyl)phenyl]-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 127048587
8-[6-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;8-[6-[3,5-bis[4-(trifluoromethyl)phenyl]pyrazol-1-yl]-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-8-[6-[4-(4-methoxyphenyl)pyrazol-1-yl]-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;bis(1-cyclopropyl-8-[6-(4-phenylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione)
CID 157098406
N-(1-cyclopropylethyl)-2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-2-(2-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-2-yl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 158604275
N-methyl-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,7-dihydropurin-6-one;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-2-amine;2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine;[2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-8-yl]methanol
CID 159372574
N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(1,1-difluoroethyl)phenoxy]phenyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[[4-(4-methylphenoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3-fluoro-5-methylphenyl)methyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 159438273
(E)-4-(dimethylamino)-N-[3-methoxy-5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-methoxy-5-[3-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]prop-2-enamide
CID 160026371
8-[4-[(3,3-difluoropyrrolidin-1-yl)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[4-[(3-fluoropyrrolidin-1-yl)methyl]phenyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine
CID 160143057
tris((E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide);(E)-4-(dimethylamino)-N-[5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-[3-(2-ethylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]prop-2-enamide
CID 161589538
8-[6-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;8-[6-[3,5-bis[4-(trifluoromethyl)phenyl]pyrazol-1-yl]-3-pyridinyl]-1-cyclopropyl-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-8-[6-[4-(4-methoxyphenyl)pyrazol-1-yl]-3-pyridinyl]-3-propyl-7H-purine-2,6-dione;1-cyclopropyl-8-[6-(4-phenylpyrazol-1-yl)-3-pyridinyl]-3-propyl-7H-purine-2,6-dione
CID 161597168
4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(trifluoromethyl)-4-pyridinyl]-7H-cyclopenta[b]pyridine
CID 162087210
(E)-4-(dimethylamino)-N-[3-[3-(2-ethylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]but-2-enamide;bis((E)-4-(dimethylamino)-N-[5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide);N-[3-[4-methyl-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethoxy)phenyl]prop-2-enamide
CID 162094792

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4-phenylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-2-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-3-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-4-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyrimidin-2-ylphenyl)-1,7-dihydropurin-6-one?
The IUPAC name of 2-(2-ethoxy-4-phenylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-2-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-3-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-4-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyrimidin-2-ylphenyl)-1,7-dihydropurin-6-one (CID 157083316) is 2-(2-ethoxy-4-phenylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-2-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-3-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-4-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyrimidin-2-ylphenyl)-1,7-dihydropurin-6-one.
What is the SMILES notation for 2-(2-ethoxy-4-phenylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-2-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-3-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-4-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyrimidin-2-ylphenyl)-1,7-dihydropurin-6-one?
The canonical SMILES for 2-(2-ethoxy-4-phenylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-2-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-3-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-4-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyrimidin-2-ylphenyl)-1,7-dihydropurin-6-one is CCOc1cc(-c2ccccc2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2ccccn2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2cccnc2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2ccncc2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2ncccn2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-(2-ethoxy-4-phenylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-2-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-3-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-4-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyrimidin-2-ylphenyl)-1,7-dihydropurin-6-one?
The InChIKey is ADUOJJXZAFYUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2.3C18H15N5O2.C17H14N6O2/c1-2-25-15-10-13(12-6-4-3-5-7-12)8-9-14(15)17-22-18-16(19(24)23-17)20-11-21-18;1-2-25-14-9-12(11-5-7-19-8-6-11)3-4-13(14)16-22-17-15(18(24)23-16)20-10-21-17;1-2-25-14-8-11(12-4-3-7-19-9-12)5-6-13(14)16-22-17-15(18(24)23-16)20-10-21-17;1-2-25-14-9-11(13-5-3-4-8-19-13)6-7-12(14)16-22-17-15(18(24)23-16)20-10-21-17;1-2-25-12-8-10(14-18-6-3-7-19-14)4-5-11(12)15-22-16-13(17(24)23-15)20-9-21-16/h3-11H,2H2,1H3,(H2,20,21,22,23,24);3*3-10H,2H2,1H3,(H2,20,21,22,23,24);3-9H,2H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 2-(2-ethoxy-4-phenylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-2-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-3-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-4-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyrimidin-2-ylphenyl)-1,7-dihydropurin-6-one?
2-(2-ethoxy-4-phenylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-2-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-3-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-4-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyrimidin-2-ylphenyl)-1,7-dihydropurin-6-one has a molecular weight of 1666.75 g/mol, XLogP of 13.87, 20 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4-phenylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-2-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-3-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyridin-4-ylphenyl)-1,7-dihydropurin-6-one;2-(2-ethoxy-4-pyrimidin-2-ylphenyl)-1,7-dihydropurin-6-one is sourced from PubChem (CID 157083316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).