amino 2-[[9-ethyl-2-(4-methoxyphenyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(furan-2-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(3-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(4-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate

C144H164N54O22 — CID 158057707

IUPACamino 2-[[9-ethyl-2-(4-methoxyphenyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(furan-2-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(3-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(4-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate
SMILESCCn1c(CN(C)c2ncc(C(=O)ON)cn2)nc2c(N3CCOCC3)nc(-c3ccc(OC)cc3)nc21.CN(Cc1nc2c(N3CCOCC3)nc(-c3ccco3)nc2n1C)c1ncc(C(=O)ON)cn1.COc1ccc(-c2nc(N3CCOCC3)c3nc(CN(C)c4ncc(C(=O)ON)cn4)n(C(C)C)c3n2)cc1.COc1ccc(-c2nc(N3CCOCC3)c3nc(CN(C)c4ncc(C(=O)ON)cn4)n(C)c3n2)cc1.Cc1ccc(-c2nc(N3CCOCC3)c3nc(CN(C)c4ncc(C(=O)ON)cn4)n(C)c3n2)cc1.Cc1cccc(-c2nc(N3CCOCC3)c3nc(CN(C)c4ncc(C(=O)ON)cn4)n(C)c3n2)c1
InChIInChI=1S/C26H31N9O4.C25H29N9O4.C24H27N9O4.2C24H27N9O3.C21H23N9O4/c1-16(2)35-20(15-33(3)26-28-13-18(14-29-26)25(36)39-27)30-21-23(34-9-11-38-12-10-34)31-22(32-24(21)35)17-5-7-19(37-4)8-6-17;1-4-34-19(15-32(2)25-27-13-17(14-28-25)24(35)38-26)29-20-22(33-9-11-37-12-10-33)30-21(31-23(20)34)16-5-7-18(36-3)8-6-16;1-31(24-26-12-16(13-27-24)23(34)37-25)14-18-28-19-21(32(18)2)29-20(15-4-6-17(35-3)7-5-15)30-22(19)33-8-10-36-11-9-33;1-15-4-6-16(7-5-15)20-29-21-19(22(30-20)33-8-10-35-11-9-33)28-18(32(21)3)14-31(2)24-26-12-17(13-27-24)23(34)36-25;1-15-5-4-6-16(11-15)20-29-21-19(22(30-20)33-7-9-35-10-8-33)28-18(32(21)3)14-31(2)24-26-12-17(13-27-24)23(34)36-25;1-28(21-23-10-13(11-24-21)20(31)34-22)12-15-25-16-18(29(15)2)26-17(14-4-3-7-33-14)27-19(16)30-5-8-32-9-6-30/h5-8,13-14,16H,9-12,15,27H2,1-4H3;5-8,13-14H,4,9-12,15,26H2,1-3H3;4-7,12-13H,8-11,14,25H2,1-3H3;4-7,12-13H,8-11,14,25H2,1-3H3;4-6,11-13H,7-10,14,25H2,1-3H3;3-4,7,10-11H,5-6,8-9,12,22H2,1-2H3
InChIKeyFKGOPFMHCXLLRD-UHFFFAOYSA-N
MW3003.25 g/mol
LogP9.71
Rot. Bonds41

About amino 2-[[9-ethyl-2-(4-methoxyphenyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(furan-2-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(3-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(4-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate

amino 2-[[9-ethyl-2-(4-methoxyphenyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(furan-2-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(3-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(4-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate (PubChem CID 158057707) has the molecular formula C144H164N54O22 and a molecular weight of 3003.25 g/mol. Its IUPAC name is amino 2-[[9-ethyl-2-(4-methoxyphenyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(furan-2-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(3-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(4-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameamino 2-[[9-ethyl-2-(4-methoxyphenyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(furan-2-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(3-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(4-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate
PubChem CID158057707
Molecular FormulaC144H164N54O22
Molecular Weight3003.25 g/mol
Exact Mass3001.34
IUPAC Nameamino 2-[[9-ethyl-2-(4-methoxyphenyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(furan-2-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(3-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(4-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate
SMILESCCn1c(CN(C)c2ncc(C(=O)ON)cn2)nc2c(N3CCOCC3)nc(-c3ccc(OC)cc3)nc21.CN(Cc1nc2c(N3CCOCC3)nc(-c3ccco3)nc2n1C)c1ncc(C(=O)ON)cn1.COc1ccc(-c2nc(N3CCOCC3)c3nc(CN(C)c4ncc(C(=O)ON)cn4)n(C(C)C)c3n2)cc1.COc1ccc(-c2nc(N3CCOCC3)c3nc(CN(C)c4ncc(C(=O)ON)cn4)n(C)c3n2)cc1.Cc1ccc(-c2nc(N3CCOCC3)c3nc(CN(C)c4ncc(C(=O)ON)cn4)n(C)c3n2)cc1.Cc1cccc(-c2nc(N3CCOCC3)c3nc(CN(C)c4ncc(C(=O)ON)cn4)n(C)c3n2)c1
InChIInChI=1S/C26H31N9O4.C25H29N9O4.C24H27N9O4.2C24H27N9O3.C21H23N9O4/c1-16(2)35-20(15-33(3)26-28-13-18(14-29-26)25(36)39-27)30-21-23(34-9-11-38-12-10-34)31-22(32-24(21)35)17-5-7-19(37-4)8-6-17;1-4-34-19(15-32(2)25-27-13-17(14-28-25)24(35)38-26)29-20-22(33-9-11-37-12-10-33)30-21(31-23(20)34)16-5-7-18(36-3)8-6-16;1-31(24-26-12-16(13-27-24)23(34)37-25)14-18-28-19-21(32(18)2)29-20(15-4-6-17(35-3)7-5-15)30-22(19)33-8-10-36-11-9-33;1-15-4-6-16(7-5-15)20-29-21-19(22(30-20)33-8-10-35-11-9-33)28-18(32(21)3)14-31(2)24-26-12-17(13-27-24)23(34)36-25;1-15-5-4-6-16(11-15)20-29-21-19(22(30-20)33-7-9-35-10-8-33)28-18(32(21)3)14-31(2)24-26-12-17(13-27-24)23(34)36-25;1-28(21-23-10-13(11-24-21)20(31)34-22)12-15-25-16-18(29(15)2)26-17(14-4-3-7-33-14)27-19(16)30-5-8-32-9-6-30/h5-8,13-14,16H,9-12,15,27H2,1-4H3;5-8,13-14H,4,9-12,15,26H2,1-3H3;4-7,12-13H,8-11,14,25H2,1-3H3;4-7,12-13H,8-11,14,25H2,1-3H3;4-6,11-13H,7-10,14,25H2,1-3H3;3-4,7,10-11H,5-6,8-9,12,22H2,1-2H3
InChIKeyFKGOPFMHCXLLRD-UHFFFAOYSA-N
XLogP9.71
TPSA865.29 Ų
H-Bond Donors6
H-Bond Acceptors76
Rotatable Bonds41
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003003.25
LogP ≤ 59.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1076

Computed Properties (RDKit)

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

Analyze amino 2-[[9-ethyl-2-(4-methoxyphenyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(furan-2-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(3-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(4-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxamide
CID 122648343
amino 2-[methyl-[[9-methyl-6-morpholin-4-yl-2-[4-(piperidin-1-ylmethyl)phenyl]purin-8-yl]methyl]amino]pyrimidine-5-carboxylate
CID 134515227
ethane;N-hydroxy-2-[[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxamide
CID 145172448
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 122648357
2-[methyl-[(9-methyl-6-morpholin-4-yl-2-pyridin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carbaldehyde
CID 134288227
2-[methyl-[[9-methyl-6-morpholin-4-yl-2-(4-propylphenyl)purin-8-yl]methyl]amino]pyrimidine-5-carbaldehyde
CID 134288234
2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)-9-methylpurin-8-yl]methyl-methylamino]pyrimidine-5-carbaldehyde
CID 134288188
2-[[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 122648342
(E)-3-[4-[[[2-(2-aminopyrimidin-5-yl)-9-ethyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118374622
ethyl 2-[[2-(3-carbamoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxylate
CID 66977854
2-[[2-(4-amino-3-methanimidoylphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-butylamino]-N-hydroxypyrimidine-5-carboxamide
CID 149112362
4-[[[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]methyl]-N-methylbenzamide;N-[8-(2,6-dimorpholin-4-ylpurin-9-yl)oct-1-en-2-yl]hydroxylamine;N-[8-(2,6-dipyrrolidin-1-ylpurin-9-yl)oct-1-en-2-yl]hydroxylamine;N-[4-[9-ethyl-8-[[[4-[(1E)-3-(hydroxyamino)buta-1,3-dienyl]phenyl]methyl-methylamino]methyl]-6-morpholin-4-ylpurin-2-yl]phenyl]methanesulfonamide;4-[[[9-ethyl-2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]methyl]-N-methylbenzamide
CID 159514478

Frequently Asked Questions

What is the IUPAC name of amino 2-[[9-ethyl-2-(4-methoxyphenyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(furan-2-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(3-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(4-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate?
The IUPAC name of amino 2-[[9-ethyl-2-(4-methoxyphenyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(furan-2-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(3-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(4-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate (CID 158057707) is amino 2-[[9-ethyl-2-(4-methoxyphenyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(furan-2-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(3-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(4-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate.
What is the SMILES notation for amino 2-[[9-ethyl-2-(4-methoxyphenyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(furan-2-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(3-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(4-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate?
The canonical SMILES for amino 2-[[9-ethyl-2-(4-methoxyphenyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(furan-2-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(3-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(4-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate is CCn1c(CN(C)c2ncc(C(=O)ON)cn2)nc2c(N3CCOCC3)nc(-c3ccc(OC)cc3)nc21.CN(Cc1nc2c(N3CCOCC3)nc(-c3ccco3)nc2n1C)c1ncc(C(=O)ON)cn1.COc1ccc(-c2nc(N3CCOCC3)c3nc(CN(C)c4ncc(C(=O)ON)cn4)n(C(C)C)c3n2)cc1.COc1ccc(-c2nc(N3CCOCC3)c3nc(CN(C)c4ncc(C(=O)ON)cn4)n(C)c3n2)cc1.Cc1ccc(-c2nc(N3CCOCC3)c3nc(CN(C)c4ncc(C(=O)ON)cn4)n(C)c3n2)cc1.Cc1cccc(-c2nc(N3CCOCC3)c3nc(CN(C)c4ncc(C(=O)ON)cn4)n(C)c3n2)c1.
What is the InChIKey of amino 2-[[9-ethyl-2-(4-methoxyphenyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(furan-2-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(3-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(4-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate?
The InChIKey is FKGOPFMHCXLLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N9O4.C25H29N9O4.C24H27N9O4.2C24H27N9O3.C21H23N9O4/c1-16(2)35-20(15-33(3)26-28-13-18(14-29-26)25(36)39-27)30-21-23(34-9-11-38-12-10-34)31-22(32-24(21)35)17-5-7-19(37-4)8-6-17;1-4-34-19(15-32(2)25-27-13-17(14-28-25)24(35)38-26)29-20-22(33-9-11-37-12-10-33)30-21(31-23(20)34)16-5-7-18(36-3)8-6-16;1-31(24-26-12-16(13-27-24)23(34)37-25)14-18-28-19-21(32(18)2)29-20(15-4-6-17(35-3)7-5-15)30-22(19)33-8-10-36-11-9-33;1-15-4-6-16(7-5-15)20-29-21-19(22(30-20)33-8-10-35-11-9-33)28-18(32(21)3)14-31(2)24-26-12-17(13-27-24)23(34)36-25;1-15-5-4-6-16(11-15)20-29-21-19(22(30-20)33-7-9-35-10-8-33)28-18(32(21)3)14-31(2)24-26-12-17(13-27-24)23(34)36-25;1-28(21-23-10-13(11-24-21)20(31)34-22)12-15-25-16-18(29(15)2)26-17(14-4-3-7-33-14)27-19(16)30-5-8-32-9-6-30/h5-8,13-14,16H,9-12,15,27H2,1-4H3;5-8,13-14H,4,9-12,15,26H2,1-3H3;4-7,12-13H,8-11,14,25H2,1-3H3;4-7,12-13H,8-11,14,25H2,1-3H3;4-6,11-13H,7-10,14,25H2,1-3H3;3-4,7,10-11H,5-6,8-9,12,22H2,1-2H3.
What are the key properties of amino 2-[[9-ethyl-2-(4-methoxyphenyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(furan-2-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(3-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(4-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate?
amino 2-[[9-ethyl-2-(4-methoxyphenyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(furan-2-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(3-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(4-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate has a molecular weight of 3003.25 g/mol, XLogP of 9.71, 41 rotatable bonds, 6 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-[[9-ethyl-2-(4-methoxyphenyl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(furan-2-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[[2-(4-methoxyphenyl)-6-morpholin-4-yl-9-propan-2-ylpurin-8-yl]methyl-methylamino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(3-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate;amino 2-[methyl-[[9-methyl-2-(4-methylphenyl)-6-morpholin-4-ylpurin-8-yl]methyl]amino]pyrimidine-5-carboxylate is sourced from PubChem (CID 158057707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).