1-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-chloro-3-morpholin-4-ylpropan-2-ol;2,6-dichloro-7H-purine;1-(2,6-dichloropurin-9-yl)-3-morpholin-4-ylpropan-2-ol;methane

C63H89Cl6N27O9 — CID 158763468

IUPAC1-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-chloro-3-morpholin-4-ylpropan-2-ol;2,6-dichloro-7H-purine;1-(2,6-dichloropurin-9-yl)-3-morpholin-4-ylpropan-2-ol;methane
SMILESC.C.C.Clc1nc(Cl)c2[nH]cnc2n1.Nc1ncc(-c2nc(Cl)nc3c2ncn3CC(O)CN2CCOCC2)cn1.Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3CC(O)CN2CCOCC2)cn1.OC(CCl)CN1CCOCC1.OC(CN1CCOCC1)Cn1cnc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C20H27N9O3.C16H19ClN8O2.C12H15Cl2N5O2.C7H14ClNO2.C5H2Cl2N4.3CH4/c21-19-22-9-14(10-23-19)16-17-18(26-20(25-16)28-3-7-32-8-4-28)29(13-24-17)12-15(30)11-27-1-5-31-6-2-27;17-15-22-12(10-5-19-16(18)20-6-10)13-14(23-15)25(9-21-13)8-11(26)7-24-1-3-27-4-2-24;13-10-9-11(17-12(14)16-10)19(7-15-9)6-8(20)5-18-1-3-21-4-2-18;8-5-7(10)6-9-1-3-11-4-2-9;6-3-2-4(9-1-8-2)11-5(7)10-3;;;/h9-10,13,15,30H,1-8,11-12H2,(H2,21,22,23);5-6,9,11,26H,1-4,7-8H2,(H2,18,19,20);7-8,20H,1-6H2;7,10H,1-6H2;1H,(H,8,9,10,11);3*1H4
InChIKeyIOYQPSOMTSOFHB-UHFFFAOYSA-N
MW1581.30 g/mol
LogP3.92
Rot. Bonds18

About 1-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-chloro-3-morpholin-4-ylpropan-2-ol;2,6-dichloro-7H-purine;1-(2,6-dichloropurin-9-yl)-3-morpholin-4-ylpropan-2-ol;methane

1-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-chloro-3-morpholin-4-ylpropan-2-ol;2,6-dichloro-7H-purine;1-(2,6-dichloropurin-9-yl)-3-morpholin-4-ylpropan-2-ol;methane (PubChem CID 158763468) has the molecular formula C63H89Cl6N27O9 and a molecular weight of 1581.30 g/mol. Its IUPAC name is 1-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-chloro-3-morpholin-4-ylpropan-2-ol;2,6-dichloro-7H-purine;1-(2,6-dichloropurin-9-yl)-3-morpholin-4-ylpropan-2-ol;methane.

Molecular Properties

Compound Name1-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-chloro-3-morpholin-4-ylpropan-2-ol;2,6-dichloro-7H-purine;1-(2,6-dichloropurin-9-yl)-3-morpholin-4-ylpropan-2-ol;methane
PubChem CID158763468
Molecular FormulaC63H89Cl6N27O9
Molecular Weight1581.30 g/mol
Exact Mass1577.55
IUPAC Name1-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-chloro-3-morpholin-4-ylpropan-2-ol;2,6-dichloro-7H-purine;1-(2,6-dichloropurin-9-yl)-3-morpholin-4-ylpropan-2-ol;methane
SMILESC.C.C.Clc1nc(Cl)c2[nH]cnc2n1.Nc1ncc(-c2nc(Cl)nc3c2ncn3CC(O)CN2CCOCC2)cn1.Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3CC(O)CN2CCOCC2)cn1.OC(CCl)CN1CCOCC1.OC(CN1CCOCC1)Cn1cnc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C20H27N9O3.C16H19ClN8O2.C12H15Cl2N5O2.C7H14ClNO2.C5H2Cl2N4.3CH4/c21-19-22-9-14(10-23-19)16-17-18(26-20(25-16)28-3-7-32-8-4-28)29(13-24-17)12-15(30)11-27-1-5-31-6-2-27;17-15-22-12(10-5-19-16(18)20-6-10)13-14(23-15)25(9-21-13)8-11(26)7-24-1-3-27-4-2-24;13-10-9-11(17-12(14)16-10)19(7-15-9)6-8(20)5-18-1-3-21-4-2-18;8-5-7(10)6-9-1-3-11-4-2-9;6-3-2-4(9-1-8-2)11-5(7)10-3;;;/h9-10,13,15,30H,1-8,11-12H2,(H2,21,22,23);5-6,9,11,26H,1-4,7-8H2,(H2,18,19,20);7-8,20H,1-6H2;7,10H,1-6H2;1H,(H,8,9,10,11);3*1H4
InChIKeyIOYQPSOMTSOFHB-UHFFFAOYSA-N
XLogP3.92
TPSA432.13 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds18
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001581.30
LogP ≤ 53.92
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 1-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-chloro-3-morpholin-4-ylpropan-2-ol;2,6-dichloro-7H-purine;1-(2,6-dichloropurin-9-yl)-3-morpholin-4-ylpropan-2-ol;methane with MolForge

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Related Compounds

5-[2-Morpholin-4-yl-9-[1-[[5-(2-morpholin-4-yl-9-pyrrolidin-3-ylpurin-6-yl)pyrimidin-2-yl]amino]propyl]purin-6-yl]pyrimidin-2-amine
CID 70269089
Bis[2-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-4-methylpiperazin-1-yl]methanone
CID 141253943
5-[2-Morpholin-4-yl-9-[1-[[5-(2-morpholin-4-yl-9-pyrrolidin-3-ylpurin-6-yl)pyrimidin-2-yl]amino]butan-2-yl]purin-6-yl]pyrimidin-2-amine
CID 143785501
N-[2-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]ethyl]methanesulfonamide;N-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]ethyl]methanesulfonamide;2,6-dichloro-7H-purine;N-[2-(2,6-dichloropurin-9-yl)ethyl]methanesulfonamide;N-(2-hydroxyethyl)methanesulfonamide;methane
CID 157291432
2-chloro-9-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine;2-chloro-N-[(4-pyridin-2-ylphenyl)methyl]-7H-purin-6-amine;2,6-dichloro-7H-purine;2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]propane-1,3-diol
CID 157457176
6-amino-2-(butylamino)-9-[[5-chloro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-purin-8-one;6-amino-2-(butylamino)-9-[(5,6-dichloro-3-pyridinyl)methyl]-7H-purin-8-one;2-N-butyl-9-[(5,6-dichloro-3-pyridinyl)methyl]purine-2,6-diamine;2-N-butyl-7H-purine-2,6-diamine
CID 157527280
5-[2-chloro-9-(2-pyridin-3-ylethyl)purin-6-yl]pyrimidin-2-amine;2,6-dichloro-7H-purine;2,6-dichloro-9-(2-pyridin-3-ylethyl)purine;methane;5-[2-morpholin-4-yl-9-(2-pyridin-3-ylethyl)purin-6-yl]pyrimidin-2-amine;2-pyridin-3-ylethanol
CID 157550358
tert-butyl 4-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]piperidine-1-carboxylate;tert-butyl 4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloropurin-9-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;2,6-dichloro-7H-purine;methane
CID 157647533
4-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]propyl]-N,N-dimethylpiperazine-1-carboxamide;N,N-dimethylcarbamoyl chloride;5-[2-morpholin-4-yl-9-(3-piperazin-1-ylpropyl)purin-6-yl]pyrimidin-2-amine;hydrochloride
CID 157817642
(2S)-2-acetyloxypropanoic acid;bis((2S)-1-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-hydroxypropan-1-one);[(2S)-1-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-1-oxopropan-2-yl] acetate;methane;5-(2-morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)pyrimidin-2-amine;dihydrochloride
CID 157846200
1-[4-[6-(2-Aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-hydroxyethanone;[2-[4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-oxoethyl] acetate;(2-chloro-2-oxoethyl) acetate;methane;5-(2-morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)pyrimidin-2-amine;hydrochloride
CID 158189827
2,4-dichloro-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazine;1-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-yl]azetidine-3-carbonitrile
CID 158193506

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-chloro-3-morpholin-4-ylpropan-2-ol;2,6-dichloro-7H-purine;1-(2,6-dichloropurin-9-yl)-3-morpholin-4-ylpropan-2-ol;methane?
The IUPAC name of 1-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-chloro-3-morpholin-4-ylpropan-2-ol;2,6-dichloro-7H-purine;1-(2,6-dichloropurin-9-yl)-3-morpholin-4-ylpropan-2-ol;methane (CID 158763468) is 1-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-chloro-3-morpholin-4-ylpropan-2-ol;2,6-dichloro-7H-purine;1-(2,6-dichloropurin-9-yl)-3-morpholin-4-ylpropan-2-ol;methane.
What is the SMILES notation for 1-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-chloro-3-morpholin-4-ylpropan-2-ol;2,6-dichloro-7H-purine;1-(2,6-dichloropurin-9-yl)-3-morpholin-4-ylpropan-2-ol;methane?
The canonical SMILES for 1-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-chloro-3-morpholin-4-ylpropan-2-ol;2,6-dichloro-7H-purine;1-(2,6-dichloropurin-9-yl)-3-morpholin-4-ylpropan-2-ol;methane is C.C.C.Clc1nc(Cl)c2[nH]cnc2n1.Nc1ncc(-c2nc(Cl)nc3c2ncn3CC(O)CN2CCOCC2)cn1.Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3CC(O)CN2CCOCC2)cn1.OC(CCl)CN1CCOCC1.OC(CN1CCOCC1)Cn1cnc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 1-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-chloro-3-morpholin-4-ylpropan-2-ol;2,6-dichloro-7H-purine;1-(2,6-dichloropurin-9-yl)-3-morpholin-4-ylpropan-2-ol;methane?
The InChIKey is IOYQPSOMTSOFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N9O3.C16H19ClN8O2.C12H15Cl2N5O2.C7H14ClNO2.C5H2Cl2N4.3CH4/c21-19-22-9-14(10-23-19)16-17-18(26-20(25-16)28-3-7-32-8-4-28)29(13-24-17)12-15(30)11-27-1-5-31-6-2-27;17-15-22-12(10-5-19-16(18)20-6-10)13-14(23-15)25(9-21-13)8-11(26)7-24-1-3-27-4-2-24;13-10-9-11(17-12(14)16-10)19(7-15-9)6-8(20)5-18-1-3-21-4-2-18;8-5-7(10)6-9-1-3-11-4-2-9;6-3-2-4(9-1-8-2)11-5(7)10-3;;;/h9-10,13,15,30H,1-8,11-12H2,(H2,21,22,23);5-6,9,11,26H,1-4,7-8H2,(H2,18,19,20);7-8,20H,1-6H2;7,10H,1-6H2;1H,(H,8,9,10,11);3*1H4.
What are the key properties of 1-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-chloro-3-morpholin-4-ylpropan-2-ol;2,6-dichloro-7H-purine;1-(2,6-dichloropurin-9-yl)-3-morpholin-4-ylpropan-2-ol;methane?
1-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-chloro-3-morpholin-4-ylpropan-2-ol;2,6-dichloro-7H-purine;1-(2,6-dichloropurin-9-yl)-3-morpholin-4-ylpropan-2-ol;methane has a molecular weight of 1581.30 g/mol, XLogP of 3.92, 18 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-3-morpholin-4-ylpropan-2-ol;1-chloro-3-morpholin-4-ylpropan-2-ol;2,6-dichloro-7H-purine;1-(2,6-dichloropurin-9-yl)-3-morpholin-4-ylpropan-2-ol;methane is sourced from PubChem (CID 158763468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).