potassium;[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-ethoxyphosphinic acid;1-bromo-3-(bromomethyl)benzene;9-[(3-bromophenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;diethoxy(oxo)phosphanium;9-[(3-diethoxyphosphorylphenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;hydride;2-(2-methoxyethoxy)-7H-purin-6-amine

C70H92Br3KN20O18P3+ — CID 158177205

IUPACpotassium;[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-ethoxyphosphinic acid;1-bromo-3-(bromomethyl)benzene;9-[(3-bromophenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;diethoxy(oxo)phosphanium;9-[(3-diethoxyphosphorylphenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;hydride;2-(2-methoxyethoxy)-7H-purin-6-amine
SMILESBrCc1cccc(Br)c1.CCOP(=O)(O)c1cccc(Cn2c(=O)[nH]c3c(N)nc(OCCOC)nc32)c1.CCOP(=O)(OCC)c1cccc(Cn2cnc3c(N)nc(OCCOC)nc32)c1.CCO[P+](=O)OCC.COCCOc1nc(N)c2[nH]cnc2n1.COCCOc1nc(N)c2ncn(Cc3cccc(Br)c3)c2n1.[H-].[K+]
InChIInChI=1S/C19H26N5O5P.C17H22N5O6P.C15H16BrN5O2.C8H11N5O2.C7H6Br2.C4H10O3P.K.H/c1-4-28-30(25,29-5-2)15-8-6-7-14(11-15)12-24-13-21-16-17(20)22-19(23-18(16)24)27-10-9-26-3;1-3-28-29(24,25)12-6-4-5-11(9-12)10-22-15-13(19-17(22)23)14(18)20-16(21-15)27-8-7-26-2;1-22-5-6-23-15-19-13(17)12-14(20-15)21(9-18-12)8-10-3-2-4-11(16)7-10;1-14-2-3-15-8-12-6(9)5-7(13-8)11-4-10-5;8-5-6-2-1-3-7(9)4-6;1-3-6-8(5)7-4-2;;/h6-8,11,13H,4-5,9-10,12H2,1-3H3,(H2,20,22,23);4-6,9H,3,7-8,10H2,1-2H3,(H,19,23)(H,24,25)(H2,18,20,21);2-4,7,9H,5-6,8H2,1H3,(H2,17,19,20);4H,2-3H2,1H3,(H3,9,10,11,12,13);1-4H,5H2;3-4H2,1-2H3;;/q;;;;;2*+1;-1
InChIKeyNSFWJEYQCYFCAM-UHFFFAOYSA-N
MW1873.36 g/mol
LogP7.38
Rot. Bonds35

About potassium;[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-ethoxyphosphinic acid;1-bromo-3-(bromomethyl)benzene;9-[(3-bromophenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;diethoxy(oxo)phosphanium;9-[(3-diethoxyphosphorylphenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;hydride;2-(2-methoxyethoxy)-7H-purin-6-amine

potassium;[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-ethoxyphosphinic acid;1-bromo-3-(bromomethyl)benzene;9-[(3-bromophenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;diethoxy(oxo)phosphanium;9-[(3-diethoxyphosphorylphenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;hydride;2-(2-methoxyethoxy)-7H-purin-6-amine (PubChem CID 158177205) has the molecular formula C70H92Br3KN20O18P3+ and a molecular weight of 1873.36 g/mol. Its IUPAC name is potassium;[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-ethoxyphosphinic acid;1-bromo-3-(bromomethyl)benzene;9-[(3-bromophenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;diethoxy(oxo)phosphanium;9-[(3-diethoxyphosphorylphenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;hydride;2-(2-methoxyethoxy)-7H-purin-6-amine.

Molecular Properties

Compound Namepotassium;[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-ethoxyphosphinic acid;1-bromo-3-(bromomethyl)benzene;9-[(3-bromophenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;diethoxy(oxo)phosphanium;9-[(3-diethoxyphosphorylphenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;hydride;2-(2-methoxyethoxy)-7H-purin-6-amine
PubChem CID158177205
Molecular FormulaC70H92Br3KN20O18P3+
Molecular Weight1873.36 g/mol
Exact Mass1869.33
IUPAC Namepotassium;[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-ethoxyphosphinic acid;1-bromo-3-(bromomethyl)benzene;9-[(3-bromophenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;diethoxy(oxo)phosphanium;9-[(3-diethoxyphosphorylphenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;hydride;2-(2-methoxyethoxy)-7H-purin-6-amine
SMILESBrCc1cccc(Br)c1.CCOP(=O)(O)c1cccc(Cn2c(=O)[nH]c3c(N)nc(OCCOC)nc32)c1.CCOP(=O)(OCC)c1cccc(Cn2cnc3c(N)nc(OCCOC)nc32)c1.CCO[P+](=O)OCC.COCCOc1nc(N)c2[nH]cnc2n1.COCCOc1nc(N)c2ncn(Cc3cccc(Br)c3)c2n1.[H-].[K+]
InChIInChI=1S/C19H26N5O5P.C17H22N5O6P.C15H16BrN5O2.C8H11N5O2.C7H6Br2.C4H10O3P.K.H/c1-4-28-30(25,29-5-2)15-8-6-7-14(11-15)12-24-13-21-16-17(20)22-19(23-18(16)24)27-10-9-26-3;1-3-28-29(24,25)12-6-4-5-11(9-12)10-22-15-13(19-17(22)23)14(18)20-16(21-15)27-8-7-26-2;1-22-5-6-23-15-19-13(17)12-14(20-15)21(9-18-12)8-10-3-2-4-11(16)7-10;1-14-2-3-15-8-12-6(9)5-7(13-8)11-4-10-5;8-5-6-2-1-3-7(9)4-6;1-3-6-8(5)7-4-2;;/h6-8,11,13H,4-5,9-10,12H2,1-3H3,(H2,20,22,23);4-6,9H,3,7-8,10H2,1-2H3,(H,19,23)(H,24,25)(H2,18,20,21);2-4,7,9H,5-6,8H2,1H3,(H2,17,19,20);4H,2-3H2,1H3,(H3,9,10,11,12,13);1-4H,5H2;3-4H2,1-2H3;;/q;;;;;2*+1;-1
InChIKeyNSFWJEYQCYFCAM-UHFFFAOYSA-N
XLogP7.38
TPSA500.74 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds35
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001873.36
LogP ≤ 57.38
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze potassium;[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-ethoxyphosphinic acid;1-bromo-3-(bromomethyl)benzene;9-[(3-bromophenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;diethoxy(oxo)phosphanium;9-[(3-diethoxyphosphorylphenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;hydride;2-(2-methoxyethoxy)-7H-purin-6-amine with MolForge

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Related Compounds

6-amino-9-(3-bromopropyl)-2-butoxy-7H-purin-8-one;6-amino-2-butoxy-9-[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propyl]-7H-purin-8-one;9-(3-bromopropyl)-2-butoxy-8-methoxypurin-6-amine;2-butoxy-8-methoxy-7H-purin-6-amine;1-[(4-methylphenyl)methyl]piperazine
CID 158140234
CID 158289978
CID 158289978
3-[[6-amino-7-ethyl-2-(2-methoxyethoxy)-8-oxopurin-9-yl]methyl]benzonitrile;bis(3-[[6-amino-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile);3-[[6-amino-8-methoxy-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;3-(bromomethyl)benzonitrile;2-(2-methoxyethoxy)-7H-purin-6-amine
CID 158772697
3-[[6-amino-8-bromo-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;3-[[6-amino-7-ethyl-2-(2-methoxyethoxy)-8-oxopurin-9-yl]methyl]benzonitrile;3-[[6-amino-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;3-[[6-amino-8-methoxy-2-(2-methoxyethoxy)purin-9-yl]methyl]benzonitrile;3-(bromomethyl)benzonitrile;2-(2-methoxyethoxy)-7H-purin-6-amine
CID 158932483
1-bromo-3-(bromomethyl)benzene;8-bromo-2-N-butyl-9-[(3-diethoxyphosphorylphenyl)methyl]purine-2,6-diamine;9-[(3-bromophenyl)methyl]-2-N-butylpurine-2,6-diamine;9-[(3-bromophenyl)methyl]-2-chloropurin-6-amine;butan-1-amine;2-N-butyl-9-[(3-diethoxyphosphorylphenyl)methyl]purine-2,6-diamine;2-chloro-7H-purin-6-amine;diethoxy(oxo)phosphanium
CID 160300617
(9Z)-16-amino-13-oxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3,5,7(22),9,14,16,20-heptaen-19-one;9-[(3-bromophenyl)methyl]-2-but-3-enoxy-8-methoxypurin-6-amine;but-1-ene;2-but-3-enoxy-8-methoxy-9-[(3-prop-2-enylphenyl)methyl]purin-6-amine;methane;(9Z)-19-methoxy-13-oxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3,5,7(22),9,14,16,18,20-octaen-16-amine;molecular hydrogen;hydroiodide
CID 161366274

Frequently Asked Questions

What is the IUPAC name of potassium;[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-ethoxyphosphinic acid;1-bromo-3-(bromomethyl)benzene;9-[(3-bromophenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;diethoxy(oxo)phosphanium;9-[(3-diethoxyphosphorylphenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;hydride;2-(2-methoxyethoxy)-7H-purin-6-amine?
The IUPAC name of potassium;[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-ethoxyphosphinic acid;1-bromo-3-(bromomethyl)benzene;9-[(3-bromophenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;diethoxy(oxo)phosphanium;9-[(3-diethoxyphosphorylphenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;hydride;2-(2-methoxyethoxy)-7H-purin-6-amine (CID 158177205) is potassium;[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-ethoxyphosphinic acid;1-bromo-3-(bromomethyl)benzene;9-[(3-bromophenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;diethoxy(oxo)phosphanium;9-[(3-diethoxyphosphorylphenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;hydride;2-(2-methoxyethoxy)-7H-purin-6-amine.
What is the SMILES notation for potassium;[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-ethoxyphosphinic acid;1-bromo-3-(bromomethyl)benzene;9-[(3-bromophenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;diethoxy(oxo)phosphanium;9-[(3-diethoxyphosphorylphenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;hydride;2-(2-methoxyethoxy)-7H-purin-6-amine?
The canonical SMILES for potassium;[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-ethoxyphosphinic acid;1-bromo-3-(bromomethyl)benzene;9-[(3-bromophenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;diethoxy(oxo)phosphanium;9-[(3-diethoxyphosphorylphenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;hydride;2-(2-methoxyethoxy)-7H-purin-6-amine is BrCc1cccc(Br)c1.CCOP(=O)(O)c1cccc(Cn2c(=O)[nH]c3c(N)nc(OCCOC)nc32)c1.CCOP(=O)(OCC)c1cccc(Cn2cnc3c(N)nc(OCCOC)nc32)c1.CCO[P+](=O)OCC.COCCOc1nc(N)c2[nH]cnc2n1.COCCOc1nc(N)c2ncn(Cc3cccc(Br)c3)c2n1.[H-].[K+].
What is the InChIKey of potassium;[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-ethoxyphosphinic acid;1-bromo-3-(bromomethyl)benzene;9-[(3-bromophenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;diethoxy(oxo)phosphanium;9-[(3-diethoxyphosphorylphenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;hydride;2-(2-methoxyethoxy)-7H-purin-6-amine?
The InChIKey is NSFWJEYQCYFCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N5O5P.C17H22N5O6P.C15H16BrN5O2.C8H11N5O2.C7H6Br2.C4H10O3P.K.H/c1-4-28-30(25,29-5-2)15-8-6-7-14(11-15)12-24-13-21-16-17(20)22-19(23-18(16)24)27-10-9-26-3;1-3-28-29(24,25)12-6-4-5-11(9-12)10-22-15-13(19-17(22)23)14(18)20-16(21-15)27-8-7-26-2;1-22-5-6-23-15-19-13(17)12-14(20-15)21(9-18-12)8-10-3-2-4-11(16)7-10;1-14-2-3-15-8-12-6(9)5-7(13-8)11-4-10-5;8-5-6-2-1-3-7(9)4-6;1-3-6-8(5)7-4-2;;/h6-8,11,13H,4-5,9-10,12H2,1-3H3,(H2,20,22,23);4-6,9H,3,7-8,10H2,1-2H3,(H,19,23)(H,24,25)(H2,18,20,21);2-4,7,9H,5-6,8H2,1H3,(H2,17,19,20);4H,2-3H2,1H3,(H3,9,10,11,12,13);1-4H,5H2;3-4H2,1-2H3;;/q;;;;;2*+1;-1.
What are the key properties of potassium;[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-ethoxyphosphinic acid;1-bromo-3-(bromomethyl)benzene;9-[(3-bromophenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;diethoxy(oxo)phosphanium;9-[(3-diethoxyphosphorylphenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;hydride;2-(2-methoxyethoxy)-7H-purin-6-amine?
potassium;[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-ethoxyphosphinic acid;1-bromo-3-(bromomethyl)benzene;9-[(3-bromophenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;diethoxy(oxo)phosphanium;9-[(3-diethoxyphosphorylphenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;hydride;2-(2-methoxyethoxy)-7H-purin-6-amine has a molecular weight of 1873.36 g/mol, XLogP of 7.38, 35 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]-ethoxyphosphinic acid;1-bromo-3-(bromomethyl)benzene;9-[(3-bromophenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;diethoxy(oxo)phosphanium;9-[(3-diethoxyphosphorylphenyl)methyl]-2-(2-methoxyethoxy)purin-6-amine;hydride;2-(2-methoxyethoxy)-7H-purin-6-amine is sourced from PubChem (CID 158177205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).