N-[8-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol;N-methyl-4-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]butanamide;N-methyl-9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-8-oxononanamide;1-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]octane-2,6-dione

C122H162N32O14 — CID 157298674

IUPACN-[8-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol;N-methyl-4-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]butanamide;N-methyl-9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-8-oxononanamide;1-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]octane-2,6-dione
SMILESC=C(CCCCCCn1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cccc(CO)c3)nc21)NO.CCC(=O)CCCC(=O)Cc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.CNC(=O)CCCCCCC(=O)Cc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.CNC(=O)CCCOc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1
InChIInChI=1S/C28H38N6O3.C26H33N5O3.C24H32N6O3.C23H30N6O3.C21H29N9O2/c1-20(2)34-19-30-26-25(31-28(32-27(26)34)33-13-15-37-16-14-33)22-10-8-9-21(17-22)18-23(35)11-6-4-5-7-12-24(36)29-3;1-4-21(32)9-6-10-22(33)16-19-7-5-8-20(15-19)23-24-25(31(17-27-24)18(2)3)29-26(28-23)30-11-13-34-14-12-30;1-18(28-32)7-4-2-3-5-10-30-17-25-21-23(29-11-13-33-14-12-29)26-22(27-24(21)30)20-9-6-8-19(15-20)16-31;1-16(2)29-15-25-21-20(26-23(27-22(21)29)28-9-12-31-13-10-28)17-6-4-7-18(14-17)32-11-5-8-19(30)24-3;1-15(28-31)6-4-2-3-5-7-30-14-25-18-17(16-12-23-20(22)24-13-16)26-21(27-19(18)30)29-8-10-32-11-9-29/h8-10,17,19-20H,4-7,11-16,18H2,1-3H3,(H,29,36);5,7-8,15,17-18H,4,6,9-14,16H2,1-3H3;6,8-9,15,17,28,31-32H,1-5,7,10-14,16H2;4,6-7,14-16H,5,8-13H2,1-3H3,(H,24,30);12-14,28,31H,1-11H2,(H2,22,23,24)
InChIKeyBBQGAZNHSGJNFC-UHFFFAOYSA-N
MW2300.85 g/mol
LogP16.51
Rot. Bonds51

About N-[8-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol;N-methyl-4-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]butanamide;N-methyl-9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-8-oxononanamide;1-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]octane-2,6-dione

N-[8-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol;N-methyl-4-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]butanamide;N-methyl-9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-8-oxononanamide;1-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]octane-2,6-dione (PubChem CID 157298674) has the molecular formula C122H162N32O14 and a molecular weight of 2300.85 g/mol. Its IUPAC name is N-[8-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol;N-methyl-4-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]butanamide;N-methyl-9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-8-oxononanamide;1-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]octane-2,6-dione.

Molecular Properties

Compound NameN-[8-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol;N-methyl-4-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]butanamide;N-methyl-9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-8-oxononanamide;1-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]octane-2,6-dione
PubChem CID157298674
Molecular FormulaC122H162N32O14
Molecular Weight2300.85 g/mol
Exact Mass2299.29
IUPAC NameN-[8-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol;N-methyl-4-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]butanamide;N-methyl-9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-8-oxononanamide;1-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]octane-2,6-dione
SMILESC=C(CCCCCCn1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cccc(CO)c3)nc21)NO.CCC(=O)CCCC(=O)Cc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.CNC(=O)CCCCCCC(=O)Cc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.CNC(=O)CCCOc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1
InChIInChI=1S/C28H38N6O3.C26H33N5O3.C24H32N6O3.C23H30N6O3.C21H29N9O2/c1-20(2)34-19-30-26-25(31-28(32-27(26)34)33-13-15-37-16-14-33)22-10-8-9-21(17-22)18-23(35)11-6-4-5-7-12-24(36)29-3;1-4-21(32)9-6-10-22(33)16-19-7-5-8-20(15-19)23-24-25(31(17-27-24)18(2)3)29-26(28-23)30-11-13-34-14-12-30;1-18(28-32)7-4-2-3-5-10-30-17-25-21-23(29-11-13-33-14-12-29)26-22(27-24(21)30)20-9-6-8-19(15-20)16-31;1-16(2)29-15-25-21-20(26-23(27-22(21)29)28-9-12-31-13-10-28)17-6-4-7-18(14-17)32-11-5-8-19(30)24-3;1-15(28-31)6-4-2-3-5-7-30-14-25-18-17(16-12-23-20(22)24-13-16)26-21(27-19(18)30)29-8-10-32-11-9-29/h8-10,17,19-20H,4-7,11-16,18H2,1-3H3,(H,29,36);5,7-8,15,17-18H,4,6,9-14,16H2,1-3H3;6,8-9,15,17,28,31-32H,1-5,7,10-14,16H2;4,6-7,14-16H,5,8-13H2,1-3H3,(H,24,30);12-14,28,31H,1-11H2,(H2,22,23,24)
InChIKeyBBQGAZNHSGJNFC-UHFFFAOYSA-N
XLogP16.51
TPSA535.54 Ų
H-Bond Donors8
H-Bond Acceptors44
Rotatable Bonds51
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002300.85
LogP ≤ 516.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze N-[8-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol;N-methyl-4-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]butanamide;N-methyl-9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-8-oxononanamide;1-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]octane-2,6-dione with MolForge

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Related Compounds

1-[3-[7-(4-Amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-5,5-difluorohexan-2-one;5,5-difluoro-1-[3-propan-2-yloxy-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]hexan-2-one;1-[3-[7-(5,6-dimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(2,6-dimethylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea
CID 157538439
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
3-(9-Benzyl-2-morpholin-4-ylpurin-6-yl)-5-fluorophenol;3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenol;[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]methanol;1-[3-(9-benzyl-2-morpholin-4-ylpurin-6-yl)phenyl]propan-2-one
CID 123645421
tert-butyl 4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;3-[9-(1-butylpiperidin-4-yl)-2-morpholin-4-ylpurin-6-yl]phenol;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide;4-[6-(1H-inden-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine
CID 123799480
3-[9-[2-(diethylamino)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-3-piperidin-1-ylpropan-1-one;3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol
CID 123819187
N-cyclopropyl-2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetamide;2-[2-(2,6-dimethylmorpholin-4-yl)-6-(1H-inden-4-yl)purin-9-yl]acetonitrile;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone;2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide
CID 123979552
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
4-[3-[(2S)-1-but-2-ynoylpiperidin-2-yl]-8-methylimidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;methane;1-[(2S)-2-[8-methyl-1-[3-[(3-methylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]but-2-yn-1-one;4-[8-methyl-3-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;4-[5-methyl-3-[(2S)-1-prop-2-enoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
CID 157077282
[3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[3-[3-(cyclohexylmethoxy)phenyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;cyclohexyl-[4-[3-[2-methyl-6-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]piperazin-1-yl]methanone;[3-[hydroxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[2-methyl-3-(3-methylbenzoyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[2-methyl-3-[1-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;N-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)oxane-4-carboxamide
CID 157169588
(10E)-23-amino-3,6,19,21,24,25-hexazapentacyclo[17.5.2.113,17.02,6.022,26]heptacosa-1(24),2,4,10,13(27),14,16,22,25-nonaen-20-one;23-amino-3,6,19,21,24,25-hexazapentacyclo[17.5.2.113,17.02,6.022,26]heptacosa-1(24),2,4,13(27),14,16,22,25-octaen-20-one;17-amino-20-methyl-7,14-dioxa-1,5,10,16,19,22-hexazatetracyclo[13.5.2.23,6.018,21]tetracosa-3,5,15,17,19,21,23-heptaen-9-one;[(9E)-17-amino-20-methyl-1,14,16,19,22-pentazatetracyclo[13.5.2.13,7.018,21]tricosa-3,5,7(23),9,15,17,19,21-octaen-13-yl]methanol;19-methyl-8-oxa-1,13,15,18,21-pentazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,18,20-heptaen-16-amine;19-methyl-13-oxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3,5,7(22),14,16,18,20-heptaen-16-amine
CID 157341097
7-[2-(2-aminopyrimidin-5-yl)-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;6-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]amino]-N-methylhexanamide;7-[2-[3-(hydroxymethyl)phenyl]-6-(4-hydroxypiperidin-1-yl)purin-9-yl]-N-methylheptanamide;N-hydroxy-7-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenoxy]heptanamide;N-hydroxy-9-[3-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)phenyl]-8-oxononanamide
CID 157347916
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

Frequently Asked Questions

What is the IUPAC name of N-[8-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol;N-methyl-4-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]butanamide;N-methyl-9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-8-oxononanamide;1-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]octane-2,6-dione?
The IUPAC name of N-[8-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol;N-methyl-4-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]butanamide;N-methyl-9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-8-oxononanamide;1-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]octane-2,6-dione (CID 157298674) is N-[8-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol;N-methyl-4-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]butanamide;N-methyl-9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-8-oxononanamide;1-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]octane-2,6-dione.
What is the SMILES notation for N-[8-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol;N-methyl-4-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]butanamide;N-methyl-9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-8-oxononanamide;1-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]octane-2,6-dione?
The canonical SMILES for N-[8-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol;N-methyl-4-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]butanamide;N-methyl-9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-8-oxononanamide;1-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]octane-2,6-dione is C=C(CCCCCCn1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21)NO.C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cccc(CO)c3)nc21)NO.CCC(=O)CCCC(=O)Cc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.CNC(=O)CCCCCCC(=O)Cc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.CNC(=O)CCCOc1cccc(-c2nc(N3CCOCC3)nc3c2ncn3C(C)C)c1.
What is the InChIKey of N-[8-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol;N-methyl-4-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]butanamide;N-methyl-9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-8-oxononanamide;1-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]octane-2,6-dione?
The InChIKey is BBQGAZNHSGJNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O3.C26H33N5O3.C24H32N6O3.C23H30N6O3.C21H29N9O2/c1-20(2)34-19-30-26-25(31-28(32-27(26)34)33-13-15-37-16-14-33)22-10-8-9-21(17-22)18-23(35)11-6-4-5-7-12-24(36)29-3;1-4-21(32)9-6-10-22(33)16-19-7-5-8-20(15-19)23-24-25(31(17-27-24)18(2)3)29-26(28-23)30-11-13-34-14-12-30;1-18(28-32)7-4-2-3-5-10-30-17-25-21-23(29-11-13-33-14-12-29)26-22(27-24(21)30)20-9-6-8-19(15-20)16-31;1-16(2)29-15-25-21-20(26-23(27-22(21)29)28-9-12-31-13-10-28)17-6-4-7-18(14-17)32-11-5-8-19(30)24-3;1-15(28-31)6-4-2-3-5-7-30-14-25-18-17(16-12-23-20(22)24-13-16)26-21(27-19(18)30)29-8-10-32-11-9-29/h8-10,17,19-20H,4-7,11-16,18H2,1-3H3,(H,29,36);5,7-8,15,17-18H,4,6,9-14,16H2,1-3H3;6,8-9,15,17,28,31-32H,1-5,7,10-14,16H2;4,6-7,14-16H,5,8-13H2,1-3H3,(H,24,30);12-14,28,31H,1-11H2,(H2,22,23,24).
What are the key properties of N-[8-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol;N-methyl-4-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]butanamide;N-methyl-9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-8-oxononanamide;1-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]octane-2,6-dione?
N-[8-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol;N-methyl-4-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]butanamide;N-methyl-9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-8-oxononanamide;1-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]octane-2,6-dione has a molecular weight of 2300.85 g/mol, XLogP of 16.51, 51 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]oct-1-en-2-yl]hydroxylamine;[3-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanol;N-methyl-4-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]butanamide;N-methyl-9-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]-8-oxononanamide;1-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenyl]octane-2,6-dione is sourced from PubChem (CID 157298674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).