5-(9-cyclobutyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;methane;5-[9-(2-methylcyclohexyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine

C62H80N24O3 — CID 159421682

IUPAC5-(9-cyclobutyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;methane;5-[9-(2-methylcyclohexyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
SMILESC.C.C.CC1CCCCC1n1cnc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCC2)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCc3ccccc32)cn1
InChIInChI=1S/C22H22N8O.C20H26N8O.C17H20N8O.3CH4/c23-18-12-24-16(11-25-18)19-20-21(28-22(27-19)29-7-9-31-10-8-29)30(13-26-20)17-6-5-14-3-1-2-4-15(14)17;1-13-4-2-3-5-15(13)28-12-24-18-17(14-10-23-16(21)11-22-14)25-20(26-19(18)28)27-6-8-29-9-7-27;18-13-9-19-12(8-20-13)14-15-16(25(10-21-15)11-2-1-3-11)23-17(22-14)24-4-6-26-7-5-24;;;/h1-4,11-13,17H,5-10H2,(H2,23,25);10-13,15H,2-9H2,1H3,(H2,21,23);8-11H,1-7H2,(H2,18,20);3*1H4
InChIKeyLPVMYBCARKHWMZ-UHFFFAOYSA-N
MW1209.49 g/mol
LogP8.03
Rot. Bonds9

About 5-(9-cyclobutyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;methane;5-[9-(2-methylcyclohexyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine

5-(9-cyclobutyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;methane;5-[9-(2-methylcyclohexyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine (PubChem CID 159421682) has the molecular formula C62H80N24O3 and a molecular weight of 1209.49 g/mol. Its IUPAC name is 5-(9-cyclobutyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;methane;5-[9-(2-methylcyclohexyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(9-cyclobutyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;methane;5-[9-(2-methylcyclohexyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
PubChem CID159421682
Molecular FormulaC62H80N24O3
Molecular Weight1209.49 g/mol
Exact Mass1208.68
IUPAC Name5-(9-cyclobutyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;methane;5-[9-(2-methylcyclohexyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
SMILESC.C.C.CC1CCCCC1n1cnc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCC2)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCc3ccccc32)cn1
InChIInChI=1S/C22H22N8O.C20H26N8O.C17H20N8O.3CH4/c23-18-12-24-16(11-25-18)19-20-21(28-22(27-19)29-7-9-31-10-8-29)30(13-26-20)17-6-5-14-3-1-2-4-15(14)17;1-13-4-2-3-5-15(13)28-12-24-18-17(14-10-23-16(21)11-22-14)25-20(26-19(18)28)27-6-8-29-9-7-27;18-13-9-19-12(8-20-13)14-15-16(25(10-21-15)11-2-1-3-11)23-17(22-14)24-4-6-26-7-5-24;;;/h1-4,11-13,17H,5-10H2,(H2,23,25);10-13,15H,2-9H2,1H3,(H2,21,23);8-11H,1-7H2,(H2,18,20);3*1H4
InChIKeyLPVMYBCARKHWMZ-UHFFFAOYSA-N
XLogP8.03
TPSA323.61 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds9
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001209.49
LogP ≤ 58.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 5-(9-cyclobutyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;methane;5-[9-(2-methylcyclohexyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(9-cyclobutyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;methane;5-[9-(2-methylcyclohexyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine?
The IUPAC name of 5-(9-cyclobutyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;methane;5-[9-(2-methylcyclohexyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine (CID 159421682) is 5-(9-cyclobutyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;methane;5-[9-(2-methylcyclohexyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine.
What is the SMILES notation for 5-(9-cyclobutyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;methane;5-[9-(2-methylcyclohexyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine?
The canonical SMILES for 5-(9-cyclobutyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;methane;5-[9-(2-methylcyclohexyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine is C.C.C.CC1CCCCC1n1cnc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCC2)cn1.Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCc3ccccc32)cn1.
What is the InChIKey of 5-(9-cyclobutyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;methane;5-[9-(2-methylcyclohexyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine?
The InChIKey is LPVMYBCARKHWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O.C20H26N8O.C17H20N8O.3CH4/c23-18-12-24-16(11-25-18)19-20-21(28-22(27-19)29-7-9-31-10-8-29)30(13-26-20)17-6-5-14-3-1-2-4-15(14)17;1-13-4-2-3-5-15(13)28-12-24-18-17(14-10-23-16(21)11-22-14)25-20(26-19(18)28)27-6-8-29-9-7-27;18-13-9-19-12(8-20-13)14-15-16(25(10-21-15)11-2-1-3-11)23-17(22-14)24-4-6-26-7-5-24;;;/h1-4,11-13,17H,5-10H2,(H2,23,25);10-13,15H,2-9H2,1H3,(H2,21,23);8-11H,1-7H2,(H2,18,20);3*1H4.
What are the key properties of 5-(9-cyclobutyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;methane;5-[9-(2-methylcyclohexyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine?
5-(9-cyclobutyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;methane;5-[9-(2-methylcyclohexyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine has a molecular weight of 1209.49 g/mol, XLogP of 8.03, 9 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-cyclobutyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;methane;5-[9-(2-methylcyclohexyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine is sourced from PubChem (CID 159421682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).