N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-7-[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide;N-methyl-4-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]methyl]benzamide;N-methyl-5-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide

C99H126N24O12 — CID 157349022

IUPACN-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-7-[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide;N-methyl-4-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]methyl]benzamide;N-methyl-5-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide
SMILESCNC(=O)CCCCCCOc1ccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)cc1.CNC(=O)CCCCOCc1ccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)cc1.CNC(=O)COc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.CNC(=O)c1ccc(COc2cccc(-c3nc(N4CCOCC4)nc4c3ncn4C(C)C)c2)cc1
InChIInChI=1S/C27H30N6O3.C26H36N6O3.C25H34N6O3.C21H26N6O3/c1-18(2)33-17-29-24-23(30-27(31-25(24)33)32-11-13-35-14-12-32)21-5-4-6-22(15-21)36-16-19-7-9-20(10-8-19)26(34)28-3;1-19(2)32-18-28-24-23(29-26(30-25(24)32)31-13-16-34-17-14-31)20-9-11-21(12-10-20)35-15-7-5-4-6-8-22(33)27-3;1-18(2)31-17-27-23-22(28-25(29-24(23)31)30-11-14-33-15-12-30)20-9-7-19(8-10-20)16-34-13-5-4-6-21(32)26-3;1-14(2)27-13-23-19-18(15-5-4-6-16(11-15)30-12-17(28)22-3)24-21(25-20(19)27)26-7-9-29-10-8-26/h4-10,15,17-18H,11-14,16H2,1-3H3,(H,28,34);9-12,18-19H,4-8,13-17H2,1-3H3,(H,27,33);7-10,17-18H,4-6,11-16H2,1-3H3,(H,26,32);4-6,11,13-14H,7-10,12H2,1-3H3,(H,22,28)
InChIKeyBHHQWYIAJCVMAV-UHFFFAOYSA-N
MW1844.25 g/mol
LogP13.21
Rot. Bonds34

About N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-7-[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide;N-methyl-4-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]methyl]benzamide;N-methyl-5-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide

N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-7-[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide;N-methyl-4-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]methyl]benzamide;N-methyl-5-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide (PubChem CID 157349022) has the molecular formula C99H126N24O12 and a molecular weight of 1844.25 g/mol. Its IUPAC name is N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-7-[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide;N-methyl-4-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]methyl]benzamide;N-methyl-5-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide.

Molecular Properties

Compound NameN-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-7-[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide;N-methyl-4-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]methyl]benzamide;N-methyl-5-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide
PubChem CID157349022
Molecular FormulaC99H126N24O12
Molecular Weight1844.25 g/mol
Exact Mass1843.00
IUPAC NameN-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-7-[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide;N-methyl-4-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]methyl]benzamide;N-methyl-5-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide
SMILESCNC(=O)CCCCCCOc1ccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)cc1.CNC(=O)CCCCOCc1ccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)cc1.CNC(=O)COc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.CNC(=O)c1ccc(COc2cccc(-c3nc(N4CCOCC4)nc4c3ncn4C(C)C)c2)cc1
InChIInChI=1S/C27H30N6O3.C26H36N6O3.C25H34N6O3.C21H26N6O3/c1-18(2)33-17-29-24-23(30-27(31-25(24)33)32-11-13-35-14-12-32)21-5-4-6-22(15-21)36-16-19-7-9-20(10-8-19)26(34)28-3;1-19(2)32-18-28-24-23(29-26(30-25(24)32)31-13-16-34-17-14-31)20-9-11-21(12-10-20)35-15-7-5-4-6-8-22(33)27-3;1-18(2)31-17-27-23-22(28-25(29-24(23)31)30-11-14-33-15-12-30)20-9-7-19(8-10-20)16-34-13-5-4-6-21(32)26-3;1-14(2)27-13-23-19-18(15-5-4-6-16(11-15)30-12-17(28)22-3)24-21(25-20(19)27)26-7-9-29-10-8-26/h4-10,15,17-18H,11-14,16H2,1-3H3,(H,28,34);9-12,18-19H,4-8,13-17H2,1-3H3,(H,27,33);7-10,17-18H,4-6,11-16H2,1-3H3,(H,26,32);4-6,11,13-14H,7-10,12H2,1-3H3,(H,22,28)
InChIKeyBHHQWYIAJCVMAV-UHFFFAOYSA-N
XLogP13.21
TPSA377.60 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds34
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001844.25
LogP ≤ 513.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-7-[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide;N-methyl-4-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]methyl]benzamide;N-methyl-5-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide with MolForge

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Related Compounds

US10994015, Example 286
CID 135157032
4-[8-amino-3-[(8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[8-amino-3-[(8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;1,2-dimethylcyclobutane
CID 145113953
Methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 161353053
Methyl 4-amino-2-butyl-1-[[4-(diethylcarbamoyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate;methyl 4-amino-2-butyl-1-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 167589969
N-hydroxy-4-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]methyl]benzamide
CID 118374534
4-[8-amino-3-[1-[4-[[5-[8-amino-1-[4-[(4-propan-2-yl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-but-2-ynoylpyrrolidin-3-yl]methoxy]but-2-enoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide
CID 123210621
3-[9-[(3-Ethyl-5-methoxyphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-[(3-fluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol;3-[9-(2-methoxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol;methyl 4-[[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]methyl]benzoate;3-[9-[(3-methylphenyl)methyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 123593688
4-[8-amino-3-[4-[8-amino-3-[1-(prop-2-enoylamino)ethyl]-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-7-ium-7-yl]-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide
CID 124031491
N-methyl-4-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]methyl]benzamide
CID 126580505
5-[6-amino-2-[2-[2-(1,3-diethyl-7-methyl-2,6-dioxopurin-8-yl)-1-benzofuran-6-yl]ethylamino]purin-9-yl]-N-ethyloxolane-2-carboxamide
CID 137384811
4-[8-amino-3-[(2S)-1-[(E)-4-[[(5S)-5-[8-amino-1-[4-[(4-propan-2-yl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-but-2-ynoylpyrrolidin-3-yl]methoxy]but-2-enoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-pyridin-2-ylbenzamide
CID 144831978
4-[6-(2-aminopyrimidin-5-yl)-8-(diethylamino)-2-morpholin-4-ylpurin-9-yl]-N-methylbutanamide;1-[4-[[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]methyl]phenyl]-2-hydroxyethanone;4-[9-ethyl-8-[[[4-[(1E)-3-(hydroxyamino)buta-1,3-dienyl]phenyl]methyl-methylamino]methyl]-6-morpholin-4-ylpurin-2-yl]benzamide;N-hydroxy-7-[4-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide
CID 157073860

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-7-[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide;N-methyl-4-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]methyl]benzamide;N-methyl-5-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide?
The IUPAC name of N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-7-[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide;N-methyl-4-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]methyl]benzamide;N-methyl-5-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide (CID 157349022) is N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-7-[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide;N-methyl-4-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]methyl]benzamide;N-methyl-5-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide.
What is the SMILES notation for N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-7-[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide;N-methyl-4-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]methyl]benzamide;N-methyl-5-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide?
The canonical SMILES for N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-7-[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide;N-methyl-4-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]methyl]benzamide;N-methyl-5-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide is CNC(=O)CCCCCCOc1ccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)cc1.CNC(=O)CCCCOCc1ccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)cc1.CNC(=O)COc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.CNC(=O)c1ccc(COc2cccc(-c3nc(N4CCOCC4)nc4c3ncn4C(C)C)c2)cc1.
What is the InChIKey of N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-7-[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide;N-methyl-4-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]methyl]benzamide;N-methyl-5-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide?
The InChIKey is BHHQWYIAJCVMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3.C26H36N6O3.C25H34N6O3.C21H26N6O3/c1-18(2)33-17-29-24-23(30-27(31-25(24)33)32-11-13-35-14-12-32)21-5-4-6-22(15-21)36-16-19-7-9-20(10-8-19)26(34)28-3;1-19(2)32-18-28-24-23(29-26(30-25(24)32)31-13-16-34-17-14-31)20-9-11-21(12-10-20)35-15-7-5-4-6-8-22(33)27-3;1-18(2)31-17-27-23-22(28-25(29-24(23)31)30-11-14-33-15-12-30)20-9-7-19(8-10-20)16-34-13-5-4-6-21(32)26-3;1-14(2)27-13-23-19-18(15-5-4-6-16(11-15)30-12-17(28)22-3)24-21(25-20(19)27)26-7-9-29-10-8-26/h4-10,15,17-18H,11-14,16H2,1-3H3,(H,28,34);9-12,18-19H,4-8,13-17H2,1-3H3,(H,27,33);7-10,17-18H,4-6,11-16H2,1-3H3,(H,26,32);4-6,11,13-14H,7-10,12H2,1-3H3,(H,22,28).
What are the key properties of N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-7-[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide;N-methyl-4-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]methyl]benzamide;N-methyl-5-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide?
N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-7-[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide;N-methyl-4-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]methyl]benzamide;N-methyl-5-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide has a molecular weight of 1844.25 g/mol, XLogP of 13.21, 34 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-7-[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]heptanamide;N-methyl-4-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]methyl]benzamide;N-methyl-5-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide is sourced from PubChem (CID 157349022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).