5-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-1-hydroxypentan-2-one;N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide;N-methyl-4-[3-(9-propan-2-yl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide;9-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]nonan-3-one

C115H151N31O14 — CID 161135107

IUPAC5-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-1-hydroxypentan-2-one;N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide;N-methyl-4-[3-(9-propan-2-yl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide;9-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]nonan-3-one
SMILESCCC(=O)CCCCCCOCc1ccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)cc1.CNC(=O)CCCCOCc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.CNC(=O)CCCOc1cccc(-c2nc(N3CCCC3)nc3c2ncn3C(C)C)c1.CNC(=O)COc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3CCCC(=O)CO)cn1
InChIInChI=1S/C28H39N5O3.C25H34N6O3.C23H30N6O2.C21H26N6O3.C18H22N8O3/c1-4-24(34)9-7-5-6-8-16-36-19-22-10-12-23(13-11-22)25-26-27(33(20-29-26)21(2)3)31-28(30-25)32-14-17-35-18-15-32;1-18(2)31-17-27-23-22(28-25(29-24(23)31)30-10-13-33-14-11-30)20-8-6-7-19(15-20)16-34-12-5-4-9-21(32)26-3;1-16(2)29-15-25-21-20(26-23(27-22(21)29)28-11-4-5-12-28)17-8-6-9-18(14-17)31-13-7-10-19(30)24-3;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;19-17-20-8-12(9-21-17)14-15-16(24-18(23-14)25-4-6-29-7-5-25)26(11-22-15)3-1-2-13(28)10-27/h10-13,20-21H,4-9,14-19H2,1-3H3;6-8,15,17-18H,4-5,9-14,16H2,1-3H3,(H,26,32);6,8-9,14-16H,4-5,7,10-13H2,1-3H3,(H,24,30);4-6,11,13-14H,7-10,12H2,1-3H3,(H,22,28);8-9,11,27H,1-7,10H2,(H2,19,20,21)
InChIKeyUMROXHQECOLYJS-UHFFFAOYSA-N
MW2191.68 g/mol
LogP14.36
Rot. Bonds44

About 5-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-1-hydroxypentan-2-one;N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide;N-methyl-4-[3-(9-propan-2-yl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide;9-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]nonan-3-one

5-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-1-hydroxypentan-2-one;N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide;N-methyl-4-[3-(9-propan-2-yl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide;9-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]nonan-3-one (PubChem CID 161135107) has the molecular formula C115H151N31O14 and a molecular weight of 2191.68 g/mol. Its IUPAC name is 5-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-1-hydroxypentan-2-one;N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide;N-methyl-4-[3-(9-propan-2-yl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide;9-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]nonan-3-one.

Molecular Properties

Compound Name5-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-1-hydroxypentan-2-one;N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide;N-methyl-4-[3-(9-propan-2-yl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide;9-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]nonan-3-one
PubChem CID161135107
Molecular FormulaC115H151N31O14
Molecular Weight2191.68 g/mol
Exact Mass2190.21
IUPAC Name5-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-1-hydroxypentan-2-one;N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide;N-methyl-4-[3-(9-propan-2-yl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide;9-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]nonan-3-one
SMILESCCC(=O)CCCCCCOCc1ccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)cc1.CNC(=O)CCCCOCc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.CNC(=O)CCCOc1cccc(-c2nc(N3CCCC3)nc3c2ncn3C(C)C)c1.CNC(=O)COc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3CCCC(=O)CO)cn1
InChIInChI=1S/C28H39N5O3.C25H34N6O3.C23H30N6O2.C21H26N6O3.C18H22N8O3/c1-4-24(34)9-7-5-6-8-16-36-19-22-10-12-23(13-11-22)25-26-27(33(20-29-26)21(2)3)31-28(30-25)32-14-17-35-18-15-32;1-18(2)31-17-27-23-22(28-25(29-24(23)31)30-10-13-33-14-11-30)20-8-6-7-19(15-20)16-34-12-5-4-9-21(32)26-3;1-16(2)29-15-25-21-20(26-23(27-22(21)29)28-11-4-5-12-28)17-8-6-9-18(14-17)31-13-7-10-19(30)24-3;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;19-17-20-8-12(9-21-17)14-15-16(24-18(23-14)25-4-6-29-7-5-25)26(11-22-15)3-1-2-13(28)10-27/h10-13,20-21H,4-9,14-19H2,1-3H3;6-8,15,17-18H,4-5,9-14,16H2,1-3H3,(H,26,32);6,8-9,14-16H,4-5,7,10-13H2,1-3H3,(H,24,30);4-6,11,13-14H,7-10,12H2,1-3H3,(H,22,28);8-9,11,27H,1-7,10H2,(H2,19,20,21)
InChIKeyUMROXHQECOLYJS-UHFFFAOYSA-N
XLogP14.36
TPSA501.51 Ų
H-Bond Donors5
H-Bond Acceptors42
Rotatable Bonds44
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002191.68
LogP ≤ 514.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 5-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-1-hydroxypentan-2-one;N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide;N-methyl-4-[3-(9-propan-2-yl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide;9-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]nonan-3-one with MolForge

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Related Compounds

1-hydroxy-7-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]heptan-2-one
CID 160607967
N-hydroxy-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide
CID 118366949
1-hydroxy-7-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]heptane-2,6-dione
CID 157266940
N-hydroxy-6-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methylamino]hexanamide
CID 118374649
5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 70224122
7-[2-(2-aminopyrimidin-5-yl)-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-hydroxyheptanamide;7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-[8-(2,6-dimorpholin-4-ylpurin-9-yl)oct-1-en-2-yl]hydroxylamine;N-[8-(2,6-dipyrrolidin-1-ylpurin-9-yl)oct-1-en-2-yl]hydroxylamine;7-[2-[3-(hydroxymethyl)phenyl]-6-[4-(hydroxymethyl)piperidin-1-yl]purin-9-yl]-N-methylheptanamide
CID 161183298
3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanamide
CID 90736300
N-hydroxy-4-[3-(7-propan-2-yl-2-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-4-yl)phenoxy]butanamide
CID 118366955
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
CID 59588823
[4-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]ethyl]phenyl]-methoxymethanol
CID 143924348
3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 44608912
4-[9-but-3-enyl-6-(1H-indol-6-yl)purin-2-yl]morpholine;3-(9-but-3-enyl-2-morpholin-4-ylpurin-6-yl)phenol;4-[9-(cyclopropylmethyl)-6-(1H-indol-6-yl)purin-2-yl]morpholine;ethyl 3-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]propanoate;ethyl 3-[6-(1H-indol-6-yl)-2-morpholin-4-ylpurin-9-yl]propanoate
CID 157433503

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-1-hydroxypentan-2-one;N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide;N-methyl-4-[3-(9-propan-2-yl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide;9-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]nonan-3-one?
The IUPAC name of 5-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-1-hydroxypentan-2-one;N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide;N-methyl-4-[3-(9-propan-2-yl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide;9-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]nonan-3-one (CID 161135107) is 5-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-1-hydroxypentan-2-one;N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide;N-methyl-4-[3-(9-propan-2-yl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide;9-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]nonan-3-one.
What is the SMILES notation for 5-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-1-hydroxypentan-2-one;N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide;N-methyl-4-[3-(9-propan-2-yl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide;9-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]nonan-3-one?
The canonical SMILES for 5-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-1-hydroxypentan-2-one;N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide;N-methyl-4-[3-(9-propan-2-yl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide;9-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]nonan-3-one is CCC(=O)CCCCCCOCc1ccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)cc1.CNC(=O)CCCCOCc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.CNC(=O)CCCOc1cccc(-c2nc(N3CCCC3)nc3c2ncn3C(C)C)c1.CNC(=O)COc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3CCCC(=O)CO)cn1.
What is the InChIKey of 5-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-1-hydroxypentan-2-one;N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide;N-methyl-4-[3-(9-propan-2-yl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide;9-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]nonan-3-one?
The InChIKey is UMROXHQECOLYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O3.C25H34N6O3.C23H30N6O2.C21H26N6O3.C18H22N8O3/c1-4-24(34)9-7-5-6-8-16-36-19-22-10-12-23(13-11-22)25-26-27(33(20-29-26)21(2)3)31-28(30-25)32-14-17-35-18-15-32;1-18(2)31-17-27-23-22(28-25(29-24(23)31)30-10-13-33-14-11-30)20-8-6-7-19(15-20)16-34-12-5-4-9-21(32)26-3;1-16(2)29-15-25-21-20(26-23(27-22(21)29)28-11-4-5-12-28)17-8-6-9-18(14-17)31-13-7-10-19(30)24-3;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;19-17-20-8-12(9-21-17)14-15-16(24-18(23-14)25-4-6-29-7-5-25)26(11-22-15)3-1-2-13(28)10-27/h10-13,20-21H,4-9,14-19H2,1-3H3;6-8,15,17-18H,4-5,9-14,16H2,1-3H3,(H,26,32);6,8-9,14-16H,4-5,7,10-13H2,1-3H3,(H,24,30);4-6,11,13-14H,7-10,12H2,1-3H3,(H,22,28);8-9,11,27H,1-7,10H2,(H2,19,20,21).
What are the key properties of 5-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-1-hydroxypentan-2-one;N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide;N-methyl-4-[3-(9-propan-2-yl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide;9-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]nonan-3-one?
5-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-1-hydroxypentan-2-one;N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide;N-methyl-4-[3-(9-propan-2-yl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide;9-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]nonan-3-one has a molecular weight of 2191.68 g/mol, XLogP of 14.36, 44 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-1-hydroxypentan-2-one;N-methyl-2-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]acetamide;N-methyl-5-[[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]pentanamide;N-methyl-4-[3-(9-propan-2-yl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]butanamide;9-[[4-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]methoxy]nonan-3-one is sourced from PubChem (CID 161135107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).