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

C112H164N38O12 — CID 161183298

IUPAC7-[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
SMILESC=C(CCCCCCn1cnc2c(N3CCCC3)nc(N3CCCC3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(N3CCOCC3)nc21)NO.CNC(=O)CCCCCCn1cnc2c(N3CCC(CO)CC3)nc(-c3cccc(CO)c3)nc21.CNC(=O)CCCCCCn1cnc2c(N3CCC(O)CC3)nc(-c3cnc(N)nc3)nc21.Nc1ncc(-c2nc(N3CCC(CO)CC3)c3ncn(CCCCCCC(=O)NO)c3n2)cn1
InChIInChI=1S/C26H36N6O3.C22H31N9O3.C22H31N9O2.C21H33N7O3.C21H33N7O/c1-27-22(35)9-4-2-3-5-12-32-18-28-23-25(31-13-10-19(16-33)11-14-31)29-24(30-26(23)32)21-8-6-7-20(15-21)17-34;23-22-24-11-16(12-25-22)19-27-20(30-9-6-15(13-32)7-10-30)18-21(28-19)31(14-26-18)8-4-2-1-3-5-17(33)29-34;1-24-17(33)6-4-2-3-5-9-31-14-27-18-20(30-10-7-16(32)8-11-30)28-19(29-21(18)31)15-12-25-22(23)26-13-15;1-17(25-29)6-4-2-3-5-7-28-16-22-18-19(26-8-12-30-13-9-26)23-21(24-20(18)28)27-10-14-31-15-11-27;1-17(25-29)10-4-2-3-5-15-28-16-22-18-19(26-11-6-7-12-26)23-21(24-20(18)28)27-13-8-9-14-27/h6-8,15,18-19,33-34H,2-5,9-14,16-17H2,1H3,(H,27,35);11-12,14-15,32,34H,1-10,13H2,(H,29,33)(H2,23,24,25);12-14,16,32H,2-11H2,1H3,(H,24,33)(H2,23,25,26);16,25,29H,1-15H2;16,25,29H,1-15H2
InChIKeyUSTIRQVDHHEQFX-UHFFFAOYSA-N
MW2234.80 g/mol
LogP11.36
Rot. Bonds50

About 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

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 (PubChem CID 161183298) has the molecular formula C112H164N38O12 and a molecular weight of 2234.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID161183298
Molecular FormulaC112H164N38O12
Molecular Weight2234.80 g/mol
Exact Mass2233.34
IUPAC Name7-[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
SMILESC=C(CCCCCCn1cnc2c(N3CCCC3)nc(N3CCCC3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(N3CCOCC3)nc21)NO.CNC(=O)CCCCCCn1cnc2c(N3CCC(CO)CC3)nc(-c3cccc(CO)c3)nc21.CNC(=O)CCCCCCn1cnc2c(N3CCC(O)CC3)nc(-c3cnc(N)nc3)nc21.Nc1ncc(-c2nc(N3CCC(CO)CC3)c3ncn(CCCCCCC(=O)NO)c3n2)cn1
InChIInChI=1S/C26H36N6O3.C22H31N9O3.C22H31N9O2.C21H33N7O3.C21H33N7O/c1-27-22(35)9-4-2-3-5-12-32-18-28-23-25(31-13-10-19(16-33)11-14-31)29-24(30-26(23)32)21-8-6-7-20(15-21)17-34;23-22-24-11-16(12-25-22)19-27-20(30-9-6-15(13-32)7-10-30)18-21(28-19)31(14-26-18)8-4-2-1-3-5-17(33)29-34;1-24-17(33)6-4-2-3-5-9-31-14-27-18-20(30-10-7-16(32)8-11-30)28-19(29-21(18)31)15-12-25-22(23)26-13-15;1-17(25-29)6-4-2-3-5-7-28-16-22-18-19(26-8-12-30-13-9-26)23-21(24-20(18)28)27-10-14-31-15-11-27;1-17(25-29)10-4-2-3-5-15-28-16-22-18-19(26-11-6-7-12-26)23-21(24-20(18)28)27-13-8-9-14-27/h6-8,15,18-19,33-34H,2-5,9-14,16-17H2,1H3,(H,27,35);11-12,14-15,32,34H,1-10,13H2,(H,29,33)(H2,23,24,25);12-14,16,32H,2-11H2,1H3,(H,24,33)(H2,23,25,26);16,25,29H,1-15H2;16,25,29H,1-15H2
InChIKeyUSTIRQVDHHEQFX-UHFFFAOYSA-N
XLogP11.36
TPSA615.71 Ų
H-Bond Donors14
H-Bond Acceptors47
Rotatable Bonds50
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002234.80
LogP ≤ 511.36
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide
CID 126580548
7-(2,6-dipyrrolidin-1-ylpurin-9-yl)-N-hydroxyheptanamide
CID 118374559
4-[[[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]methyl]-N-methylbenzamide;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;N-[4-[9-ethyl-8-[[[4-[(1E)-3-(hydroxyamino)buta-1,3-dienyl]phenyl]methyl-methylamino]methyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanesulfonamide;4-[[[9-ethyl-2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]methyl]-N-methylbenzamide
CID 159514478
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
7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one
CID 126580532
5-[6-morpholin-4-yl-9-(3-morpholin-4-ylpropyl)purin-2-yl]pyrimidin-2-amine
CID 66909825
(E)-3-[4-[[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118374535
7-[2-(3-hydroxyphenyl)-6-(oxan-4-yl)purin-9-yl]-N-methylheptanamide
CID 126580594
4-[5-(9-ethyl-2-morpholin-4-ylpurin-6-yl)-2-fluorophenoxy]-N-methylbutanamide;2-[2-fluoro-5-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;(NZ)-N-[1-[5-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]-2-methoxyphenyl]ethylidene]hydroxylamine;[5-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]-2-methoxyphenyl]methanol;N-[1-[4-[4-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]butyl]phenyl]ethenyl]hydroxylamine
CID 172950666
5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 143903048
1-hydroxy-7-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]heptan-2-one
CID 126580553
[3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol
CID 25072769

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(CCCCCCn1cnc2c(N3CCCC3)nc(N3CCCC3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(N3CCOCC3)nc21)NO.CNC(=O)CCCCCCn1cnc2c(N3CCC(CO)CC3)nc(-c3cccc(CO)c3)nc21.CNC(=O)CCCCCCn1cnc2c(N3CCC(O)CC3)nc(-c3cnc(N)nc3)nc21.Nc1ncc(-c2nc(N3CCC(CO)CC3)c3ncn(CCCCCCC(=O)NO)c3n2)cn1.
What is the InChIKey of 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?
The InChIKey is USTIRQVDHHEQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O3.C22H31N9O3.C22H31N9O2.C21H33N7O3.C21H33N7O/c1-27-22(35)9-4-2-3-5-12-32-18-28-23-25(31-13-10-19(16-33)11-14-31)29-24(30-26(23)32)21-8-6-7-20(15-21)17-34;23-22-24-11-16(12-25-22)19-27-20(30-9-6-15(13-32)7-10-30)18-21(28-19)31(14-26-18)8-4-2-1-3-5-17(33)29-34;1-24-17(33)6-4-2-3-5-9-31-14-27-18-20(30-10-7-16(32)8-11-30)28-19(29-21(18)31)15-12-25-22(23)26-13-15;1-17(25-29)6-4-2-3-5-7-28-16-22-18-19(26-8-12-30-13-9-26)23-21(24-20(18)28)27-10-14-31-15-11-27;1-17(25-29)10-4-2-3-5-15-28-16-22-18-19(26-11-6-7-12-26)23-21(24-20(18)28)27-13-8-9-14-27/h6-8,15,18-19,33-34H,2-5,9-14,16-17H2,1H3,(H,27,35);11-12,14-15,32,34H,1-10,13H2,(H,29,33)(H2,23,24,25);12-14,16,32H,2-11H2,1H3,(H,24,33)(H2,23,25,26);16,25,29H,1-15H2;16,25,29H,1-15H2.
What are the key properties of 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?
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 has a molecular weight of 2234.80 g/mol, XLogP of 11.36, 50 rotatable bonds, 14 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161183298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).