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

C45H58Cl5N27O10S4 — CID 157291432

IUPACN-[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
SMILESC.CS(=O)(=O)NCCO.CS(=O)(=O)NCCn1cnc2c(-c3cnc(N)nc3)nc(Cl)nc21.CS(=O)(=O)NCCn1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CS(=O)(=O)NCCn1cnc2c(Cl)nc(Cl)nc21.Clc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C16H21N9O3S.C12H13ClN8O2S.C8H9Cl2N5O2S.C5H2Cl2N4.C3H9NO3S.CH4/c1-29(26,27)21-2-3-25-10-20-13-12(11-8-18-15(17)19-9-11)22-16(23-14(13)25)24-4-6-28-7-5-24;1-24(22,23)18-2-3-21-6-17-9-8(19-11(13)20-10(9)21)7-4-15-12(14)16-5-7;1-18(16,17)12-2-3-15-4-11-5-6(9)13-8(10)14-7(5)15;6-3-2-4(9-1-8-2)11-5(7)10-3;1-8(6,7)4-2-3-5;/h8-10,21H,2-7H2,1H3,(H2,17,18,19);4-6,18H,2-3H2,1H3,(H2,14,15,16);4,12H,2-3H2,1H3;1H,(H,8,9,10,11);4-5H,2-3H2,1H3;1H4
InChIKeyBAVSZUWXDPQJIC-UHFFFAOYSA-N
MW1442.67 g/mol
LogP0.83
Rot. Bonds18

About 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

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 (PubChem CID 157291432) has the molecular formula C45H58Cl5N27O10S4 and a molecular weight of 1442.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID157291432
Molecular FormulaC45H58Cl5N27O10S4
Molecular Weight1442.67 g/mol
Exact Mass1439.22
IUPAC NameN-[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
SMILESC.CS(=O)(=O)NCCO.CS(=O)(=O)NCCn1cnc2c(-c3cnc(N)nc3)nc(Cl)nc21.CS(=O)(=O)NCCn1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CS(=O)(=O)NCCn1cnc2c(Cl)nc(Cl)nc21.Clc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C16H21N9O3S.C12H13ClN8O2S.C8H9Cl2N5O2S.C5H2Cl2N4.C3H9NO3S.CH4/c1-29(26,27)21-2-3-25-10-20-13-12(11-8-18-15(17)19-9-11)22-16(23-14(13)25)24-4-6-28-7-5-24;1-24(22,23)18-2-3-21-6-17-9-8(19-11(13)20-10(9)21)7-4-15-12(14)16-5-7;1-18(16,17)12-2-3-15-4-11-5-6(9)13-8(10)14-7(5)15;6-3-2-4(9-1-8-2)11-5(7)10-3;1-8(6,7)4-2-3-5;/h8-10,21H,2-7H2,1H3,(H2,17,18,19);4-6,18H,2-3H2,1H3,(H2,14,15,16);4,12H,2-3H2,1H3;1H,(H,8,9,10,11);4-5H,2-3H2,1H3;1H4
InChIKeyBAVSZUWXDPQJIC-UHFFFAOYSA-N
XLogP0.83
TPSA506.24 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds18
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001442.67
LogP ≤ 50.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze 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 with MolForge

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Related Compounds

5-(2-Morpholin-4-yl-9-piperidin-4-ylpurin-6-yl)pyrimidin-2-amine;5-[2-morpholin-4-yl-9-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]purin-6-yl]pyrimidin-2-amine;2,2,2-trifluoroethyl methanesulfonate;hydrochloride
CID 160925160
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
tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(piperidin-4-ylmethyl)purin-6-yl]pyrimidin-2-amine
CID 158314653
[3-[6-(2-Aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone;4-methylpiperazine-1-carbonyl chloride;5-(2-morpholin-4-yl-9-pyrrolidin-3-ylpurin-6-yl)pyrimidin-2-amine;hydrochloride
CID 158367901
Methanesulfonyl chloride;5-[9-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-9-(2-piperazin-1-ylethyl)purin-6-yl]pyrimidin-2-amine;hydrochloride
CID 158649450
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
Methanesulfonyl chloride;5-[9-[3-(4-methylsulfonylpiperazin-1-yl)propyl]-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-9-(3-piperazin-1-ylpropyl)purin-6-yl]pyrimidin-2-amine;hydrochloride
CID 159382850
1-[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]-2-methylpropan-2-ol;1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]-2-methylpropan-2-ol;2,6-dichloro-7H-purine;1-(2,6-dichloropurin-9-yl)-2-methylpropan-2-ol;ethyl 2-bromoacetate;ethyl 2-(2,6-dichloropurin-9-yl)acetate;methane
CID 159523019
5-(8-bromo-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine;5-(2-chloro-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine;2,6-dichloro-9-propan-2-ylpurine;2,6-dichloro-7H-purine;5-(8-methyl-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine;5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 159564036
2-[[7-chloro-2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;3-[7-chloro-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-N-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine;2-[[2-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;methane;1-methylsulfonylpiperidin-3-amine
CID 159605034
5-[2-chloro-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;2,6-dichloro-9-(oxolan-3-yl)purine;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]pyrimidin-2-amine;oxolan-3-ol
CID 159610794

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CS(=O)(=O)NCCO.CS(=O)(=O)NCCn1cnc2c(-c3cnc(N)nc3)nc(Cl)nc21.CS(=O)(=O)NCCn1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CS(=O)(=O)NCCn1cnc2c(Cl)nc(Cl)nc21.Clc1nc(Cl)c2[nH]cnc2n1.
What is the InChIKey of 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?
The InChIKey is BAVSZUWXDPQJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N9O3S.C12H13ClN8O2S.C8H9Cl2N5O2S.C5H2Cl2N4.C3H9NO3S.CH4/c1-29(26,27)21-2-3-25-10-20-13-12(11-8-18-15(17)19-9-11)22-16(23-14(13)25)24-4-6-28-7-5-24;1-24(22,23)18-2-3-21-6-17-9-8(19-11(13)20-10(9)21)7-4-15-12(14)16-5-7;1-18(16,17)12-2-3-15-4-11-5-6(9)13-8(10)14-7(5)15;6-3-2-4(9-1-8-2)11-5(7)10-3;1-8(6,7)4-2-3-5;/h8-10,21H,2-7H2,1H3,(H2,17,18,19);4-6,18H,2-3H2,1H3,(H2,14,15,16);4,12H,2-3H2,1H3;1H,(H,8,9,10,11);4-5H,2-3H2,1H3;1H4.
What are the key properties of 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?
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 has a molecular weight of 1442.67 g/mol, XLogP of 0.83, 18 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157291432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).