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

C74H83BrCl5N39O3 — CID 159564036

IUPAC5-(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
SMILESCC(C)n1c(Br)nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CC(C)n1cnc2c(-c3cnc(N)nc3)nc(Cl)nc21.CC(C)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CC(C)n1cnc2c(Cl)nc(Cl)nc21.Cc1nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2n1C(C)C.Clc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C17H22N8O.C16H19BrN8O.C16H20N8O.C12H12ClN7.C8H8Cl2N4.C5H2Cl2N4/c1-10(2)25-11(3)21-14-13(12-8-19-16(18)20-9-12)22-17(23-15(14)25)24-4-6-26-7-5-24;1-9(2)25-13-12(21-14(25)17)11(10-7-19-15(18)20-8-10)22-16(23-13)24-3-5-26-6-4-24;1-10(2)24-9-20-13-12(11-7-18-15(17)19-8-11)21-16(22-14(13)24)23-3-5-25-6-4-23;1-6(2)20-5-17-9-8(18-11(13)19-10(9)20)7-3-15-12(14)16-4-7;1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;6-3-2-4(9-1-8-2)11-5(7)10-3/h8-10H,4-7H2,1-3H3,(H2,18,19,20);7-9H,3-6H2,1-2H3,(H2,18,19,20);7-10H,3-6H2,1-2H3,(H2,17,18,19);3-6H,1-2H3,(H2,14,15,16);3-4H,1-2H3;1H,(H,8,9,10,11)
InChIKeyMGZCMMMYHOKZGX-UHFFFAOYSA-N
MW1823.92 g/mol
LogP11.39
Rot. Bonds12

About 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

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 (PubChem CID 159564036) has the molecular formula C74H83BrCl5N39O3 and a molecular weight of 1823.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID159564036
Molecular FormulaC74H83BrCl5N39O3
Molecular Weight1823.92 g/mol
Exact Mass1819.52
IUPAC Name5-(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
SMILESCC(C)n1c(Br)nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CC(C)n1cnc2c(-c3cnc(N)nc3)nc(Cl)nc21.CC(C)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CC(C)n1cnc2c(Cl)nc(Cl)nc21.Cc1nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2n1C(C)C.Clc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C17H22N8O.C16H19BrN8O.C16H20N8O.C12H12ClN7.C8H8Cl2N4.C5H2Cl2N4/c1-10(2)25-11(3)21-14-13(12-8-19-16(18)20-9-12)22-17(23-15(14)25)24-4-6-26-7-5-24;1-9(2)25-13-12(21-14(25)17)11(10-7-19-15(18)20-8-10)22-16(23-13)24-3-5-26-6-4-24;1-10(2)24-9-20-13-12(11-7-18-15(17)19-8-11)21-16(22-14(13)24)23-3-5-25-6-4-23;1-6(2)20-5-17-9-8(18-11(13)19-10(9)20)7-3-15-12(14)16-4-7;1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;6-3-2-4(9-1-8-2)11-5(7)10-3/h8-10H,4-7H2,1-3H3,(H2,18,19,20);7-9H,3-6H2,1-2H3,(H2,18,19,20);7-10H,3-6H2,1-2H3,(H2,17,18,19);3-6H,1-2H3,(H2,14,15,16);3-4H,1-2H3;1H,(H,8,9,10,11)
InChIKeyMGZCMMMYHOKZGX-UHFFFAOYSA-N
XLogP11.39
TPSA517.07 Ų
H-Bond Donors5
H-Bond Acceptors41
Rotatable Bonds12
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001823.92
LogP ≤ 511.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1041

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)n1c(Br)nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CC(C)n1cnc2c(-c3cnc(N)nc3)nc(Cl)nc21.CC(C)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.CC(C)n1cnc2c(Cl)nc(Cl)nc21.Cc1nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc2n1C(C)C.Clc1nc(Cl)c2[nH]cnc2n1.
What is the InChIKey of 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?
The InChIKey is MGZCMMMYHOKZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O.C16H19BrN8O.C16H20N8O.C12H12ClN7.C8H8Cl2N4.C5H2Cl2N4/c1-10(2)25-11(3)21-14-13(12-8-19-16(18)20-9-12)22-17(23-15(14)25)24-4-6-26-7-5-24;1-9(2)25-13-12(21-14(25)17)11(10-7-19-15(18)20-8-10)22-16(23-13)24-3-5-26-6-4-24;1-10(2)24-9-20-13-12(11-7-18-15(17)19-8-11)21-16(22-14(13)24)23-3-5-25-6-4-23;1-6(2)20-5-17-9-8(18-11(13)19-10(9)20)7-3-15-12(14)16-4-7;1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;6-3-2-4(9-1-8-2)11-5(7)10-3/h8-10H,4-7H2,1-3H3,(H2,18,19,20);7-9H,3-6H2,1-2H3,(H2,18,19,20);7-10H,3-6H2,1-2H3,(H2,17,18,19);3-6H,1-2H3,(H2,14,15,16);3-4H,1-2H3;1H,(H,8,9,10,11).
What are the key properties of 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?
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 has a molecular weight of 1823.92 g/mol, XLogP of 11.39, 12 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159564036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).