4-[2-(2-chloro-6-methoxypurin-7-yl)-1,1,2,2-tetradeuterioethyl]morpholine;2-chloro-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one;dideuterio-(3,4-dichlorophenyl)methanamine;2-[[dideuterio-(3,4-dichlorophenyl)methyl]amino]-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one

C48H57Cl6N17O6 — CID 163598200

IUPAC4-[2-(2-chloro-6-methoxypurin-7-yl)-1,1,2,2-tetradeuterioethyl]morpholine;2-chloro-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one;dideuterio-(3,4-dichlorophenyl)methanamine;2-[[dideuterio-(3,4-dichlorophenyl)methyl]amino]-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one
SMILES[2H]C([2H])(N)c1ccc(Cl)c(Cl)c1.[2H]C([2H])(N1CCOCC1)C([2H])([2H])n1cnc2nc(Cl)[nH]c(=O)c21.[2H]C([2H])(N1CCOCC1)C([2H])([2H])n1cnc2nc(Cl)nc(OC)c21.[2H]C([2H])(Nc1nc2ncn(C([2H])([2H])C([2H])([2H])N3CCOCC3)c2c(=O)[nH]1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N6O2.C12H16ClN5O2.C11H14ClN5O2.C7H7Cl2N/c19-13-2-1-12(9-14(13)20)10-21-18-23-16-15(17(27)24-18)26(11-22-16)4-3-25-5-7-28-8-6-25;1-19-11-9-10(15-12(13)16-11)14-8-18(9)3-2-17-4-6-20-7-5-17;12-11-14-9-8(10(18)15-11)17(7-13-9)2-1-16-3-5-19-6-4-16;8-6-2-1-5(4-10)3-7(6)9/h1-2,9,11H,3-8,10H2,(H2,21,23,24,27);8H,2-7H2,1H3;7H,1-6H2,(H,14,15,18);1-3H,4,10H2/i3D2,4D2,10D2;2D2,3D2;1D2,2D2;4D2
InChIKeyGVHSBKSKJGOYMM-ICJAGVBASA-N
MW1196.91 g/mol
LogP5.75
Rot. Bonds14

About 4-[2-(2-chloro-6-methoxypurin-7-yl)-1,1,2,2-tetradeuterioethyl]morpholine;2-chloro-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one;dideuterio-(3,4-dichlorophenyl)methanamine;2-[[dideuterio-(3,4-dichlorophenyl)methyl]amino]-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one

4-[2-(2-chloro-6-methoxypurin-7-yl)-1,1,2,2-tetradeuterioethyl]morpholine;2-chloro-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one;dideuterio-(3,4-dichlorophenyl)methanamine;2-[[dideuterio-(3,4-dichlorophenyl)methyl]amino]-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one (PubChem CID 163598200) has the molecular formula C48H57Cl6N17O6 and a molecular weight of 1196.91 g/mol. Its IUPAC name is 4-[2-(2-chloro-6-methoxypurin-7-yl)-1,1,2,2-tetradeuterioethyl]morpholine;2-chloro-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one;dideuterio-(3,4-dichlorophenyl)methanamine;2-[[dideuterio-(3,4-dichlorophenyl)methyl]amino]-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one.

Molecular Properties

Compound Name4-[2-(2-chloro-6-methoxypurin-7-yl)-1,1,2,2-tetradeuterioethyl]morpholine;2-chloro-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one;dideuterio-(3,4-dichlorophenyl)methanamine;2-[[dideuterio-(3,4-dichlorophenyl)methyl]amino]-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one
PubChem CID163598200
Molecular FormulaC48H57Cl6N17O6
Molecular Weight1196.91 g/mol
Exact Mass1193.38
IUPAC Name4-[2-(2-chloro-6-methoxypurin-7-yl)-1,1,2,2-tetradeuterioethyl]morpholine;2-chloro-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one;dideuterio-(3,4-dichlorophenyl)methanamine;2-[[dideuterio-(3,4-dichlorophenyl)methyl]amino]-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one
SMILES[2H]C([2H])(N)c1ccc(Cl)c(Cl)c1.[2H]C([2H])(N1CCOCC1)C([2H])([2H])n1cnc2nc(Cl)[nH]c(=O)c21.[2H]C([2H])(N1CCOCC1)C([2H])([2H])n1cnc2nc(Cl)nc(OC)c21.[2H]C([2H])(Nc1nc2ncn(C([2H])([2H])C([2H])([2H])N3CCOCC3)c2c(=O)[nH]1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N6O2.C12H16ClN5O2.C11H14ClN5O2.C7H7Cl2N/c19-13-2-1-12(9-14(13)20)10-21-18-23-16-15(17(27)24-18)26(11-22-16)4-3-25-5-7-28-8-6-25;1-19-11-9-10(15-12(13)16-11)14-8-18(9)3-2-17-4-6-20-7-5-17;12-11-14-9-8(10(18)15-11)17(7-13-9)2-1-16-3-5-19-6-4-16;8-6-2-1-5(4-10)3-7(6)9/h1-2,9,11H,3-8,10H2,(H2,21,23,24,27);8H,2-7H2,1H3;7H,1-6H2,(H,14,15,18);1-3H,4,10H2/i3D2,4D2,10D2;2D2,3D2;1D2,2D2;4D2
InChIKeyGVHSBKSKJGOYMM-ICJAGVBASA-N
XLogP5.75
TPSA255.43 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001196.91
LogP ≤ 55.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 4-[2-(2-chloro-6-methoxypurin-7-yl)-1,1,2,2-tetradeuterioethyl]morpholine;2-chloro-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one;dideuterio-(3,4-dichlorophenyl)methanamine;2-[[dideuterio-(3,4-dichlorophenyl)methyl]amino]-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one with MolForge

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Related Compounds

7-[2-(2-deuterio-2-methylmorpholin-4-yl)ethyl]-2-[(3,4-dichlorophenyl)methylamino]-1H-purin-6-one;2-[(3,4-dichlorophenyl)methylamino]-7-[2-(2,2,3,3-tetradeuteriomorpholin-4-yl)ethyl]-1H-purin-6-one;2-[(3,4-dichlorophenyl)methylamino]-7-[2-(2,2,6-trideuterio-6-methylmorpholin-4-yl)ethyl]-1H-purin-6-one
CID 163777070
4-[2-(2-chloro-6-methoxypurin-7-yl)ethyl]-3,3,5,5-tetradeuteriomorpholine
CID 162705418
2-chloro-7-[2-(2,2-dideuteriomorpholin-4-yl)ethyl]-1H-purin-6-one
CID 162705449
2-amino-7-[(4-methoxyphenyl)methyl]-1H-purin-6-one;dihydrochloride
CID 135845144
2-[(3,4-dimethylphenyl)methylamino]-7-(4-methoxybutyl)-1H-purin-6-one
CID 135522314
5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine;(3,4-dichlorophenyl)methanamine;5-[(3,4-dichlorophenyl)methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;N-[(3,4-dichlorophenyl)methyl]-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidin-5-amine;4-methoxy-2-methyl-5H-pyrrolo[3,4-d]pyrimidine;methylboronic acid
CID 159362154
5-[(3,4-dichlorophenyl)methylamino]-1-(2-hydroxy-3-morpholin-4-ylpropyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride
CID 154606894
7-[(3,4-dichlorophenyl)methyl]-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione
CID 4897081
4-chloro-3-methoxy-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)benzamide
CID 136547909
6-[(3,4-dichlorophenyl)methylamino]-3-[2-(2-morpholin-4-ylethoxy)ethyl]-1H-pyrimidine-2,4-dione
CID 10195006
2-chloro-7-hydroxy-1H-purin-6-one
CID 137226096
N-(7-benzyl-6-oxo-1H-purin-2-yl)acetamide
CID 135471186

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-6-methoxypurin-7-yl)-1,1,2,2-tetradeuterioethyl]morpholine;2-chloro-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one;dideuterio-(3,4-dichlorophenyl)methanamine;2-[[dideuterio-(3,4-dichlorophenyl)methyl]amino]-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one?
The IUPAC name of 4-[2-(2-chloro-6-methoxypurin-7-yl)-1,1,2,2-tetradeuterioethyl]morpholine;2-chloro-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one;dideuterio-(3,4-dichlorophenyl)methanamine;2-[[dideuterio-(3,4-dichlorophenyl)methyl]amino]-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one (CID 163598200) is 4-[2-(2-chloro-6-methoxypurin-7-yl)-1,1,2,2-tetradeuterioethyl]morpholine;2-chloro-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one;dideuterio-(3,4-dichlorophenyl)methanamine;2-[[dideuterio-(3,4-dichlorophenyl)methyl]amino]-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one.
What is the SMILES notation for 4-[2-(2-chloro-6-methoxypurin-7-yl)-1,1,2,2-tetradeuterioethyl]morpholine;2-chloro-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one;dideuterio-(3,4-dichlorophenyl)methanamine;2-[[dideuterio-(3,4-dichlorophenyl)methyl]amino]-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one?
The canonical SMILES for 4-[2-(2-chloro-6-methoxypurin-7-yl)-1,1,2,2-tetradeuterioethyl]morpholine;2-chloro-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one;dideuterio-(3,4-dichlorophenyl)methanamine;2-[[dideuterio-(3,4-dichlorophenyl)methyl]amino]-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one is [2H]C([2H])(N)c1ccc(Cl)c(Cl)c1.[2H]C([2H])(N1CCOCC1)C([2H])([2H])n1cnc2nc(Cl)[nH]c(=O)c21.[2H]C([2H])(N1CCOCC1)C([2H])([2H])n1cnc2nc(Cl)nc(OC)c21.[2H]C([2H])(Nc1nc2ncn(C([2H])([2H])C([2H])([2H])N3CCOCC3)c2c(=O)[nH]1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[2-(2-chloro-6-methoxypurin-7-yl)-1,1,2,2-tetradeuterioethyl]morpholine;2-chloro-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one;dideuterio-(3,4-dichlorophenyl)methanamine;2-[[dideuterio-(3,4-dichlorophenyl)methyl]amino]-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one?
The InChIKey is GVHSBKSKJGOYMM-ICJAGVBASA-N. The full InChI is InChI=1S/C18H20Cl2N6O2.C12H16ClN5O2.C11H14ClN5O2.C7H7Cl2N/c19-13-2-1-12(9-14(13)20)10-21-18-23-16-15(17(27)24-18)26(11-22-16)4-3-25-5-7-28-8-6-25;1-19-11-9-10(15-12(13)16-11)14-8-18(9)3-2-17-4-6-20-7-5-17;12-11-14-9-8(10(18)15-11)17(7-13-9)2-1-16-3-5-19-6-4-16;8-6-2-1-5(4-10)3-7(6)9/h1-2,9,11H,3-8,10H2,(H2,21,23,24,27);8H,2-7H2,1H3;7H,1-6H2,(H,14,15,18);1-3H,4,10H2/i3D2,4D2,10D2;2D2,3D2;1D2,2D2;4D2.
What are the key properties of 4-[2-(2-chloro-6-methoxypurin-7-yl)-1,1,2,2-tetradeuterioethyl]morpholine;2-chloro-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one;dideuterio-(3,4-dichlorophenyl)methanamine;2-[[dideuterio-(3,4-dichlorophenyl)methyl]amino]-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one?
4-[2-(2-chloro-6-methoxypurin-7-yl)-1,1,2,2-tetradeuterioethyl]morpholine;2-chloro-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one;dideuterio-(3,4-dichlorophenyl)methanamine;2-[[dideuterio-(3,4-dichlorophenyl)methyl]amino]-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one has a molecular weight of 1196.91 g/mol, XLogP of 5.75, 14 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-6-methoxypurin-7-yl)-1,1,2,2-tetradeuterioethyl]morpholine;2-chloro-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one;dideuterio-(3,4-dichlorophenyl)methanamine;2-[[dideuterio-(3,4-dichlorophenyl)methyl]amino]-7-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)-1H-purin-6-one is sourced from PubChem (CID 163598200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).