About 2-[(1S)-1-[[6-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-cyclopropylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(2-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-fluorophenyl)quinazolin-4-one
2-[(1S)-1-[[6-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-cyclopropylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(2-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-fluorophenyl)quinazolin-4-one (PubChem CID 162158512) has the molecular formula C93H85Cl4FN34O7
and a molecular weight of 1951.74 g/mol. Its IUPAC name is 2-[(1S)-1-[[6-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-cyclopropylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(2-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-fluorophenyl)quinazolin-4-one.
Frequently Asked Questions
What is the IUPAC name of 2-[(1S)-1-[[6-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-cyclopropylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(2-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-fluorophenyl)quinazolin-4-one?
The IUPAC name of 2-[(1S)-1-[[6-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-cyclopropylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(2-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-fluorophenyl)quinazolin-4-one (CID 162158512) is 2-[(1S)-1-[[6-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-cyclopropylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(2-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-fluorophenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(1S)-1-[[6-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-cyclopropylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(2-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-fluorophenyl)quinazolin-4-one?
The canonical SMILES for 2-[(1S)-1-[[6-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-cyclopropylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(2-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-fluorophenyl)quinazolin-4-one is CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(C)c1.CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1C.CC[C@H](Nc1ncnc(N)c1-c1nnn(C)n1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1.Cc1nc(-c2c(N)ncnc2N[C@@H](C)c2nc3cccc(Cl)c3c(=O)n2C2CC2)no1.
What is the InChIKey of 2-[(1S)-1-[[6-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-cyclopropylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(2-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-fluorophenyl)quinazolin-4-one?
The InChIKey is ZMDOUXUEYQBBHE-BYZIGTCNSA-N. The full InChI is InChI=1S/2C25H23ClN8O2.C23H20ClFN10O.C20H19ClN8O2/c1-4-17(30-22-20(21(27)28-12-29-22)24-33-32-14(3)36-24)23-31-18-10-6-9-16(26)19(18)25(35)34(23)15-8-5-7-13(2)11-15;1-4-16(30-22-20(21(27)28-12-29-22)24-33-32-14(3)36-24)23-31-17-10-7-9-15(26)19(17)25(35)34(23)18-11-6-5-8-13(18)2;1-3-15(29-20-18(19(26)27-11-28-20)21-31-33-34(2)32-21)22-30-16-9-5-8-14(24)17(16)23(36)35(22)13-7-4-6-12(25)10-13;1-9(25-17-15(16(22)23-8-24-17)18-26-10(2)31-28-18)19-27-13-5-3-4-12(21)14(13)20(30)29(19)11-6-7-11/h5-12,17H,4H2,1-3H3,(H3,27,28,29,30);5-12,16H,4H2,1-3H3,(H3,27,28,29,30);4-11,15H,3H2,1-2H3,(H3,26,27,28,29);3-5,8-9,11H,6-7H2,1-2H3,(H3,22,23,24,25)/t17-;16-;15-;9-/m0000/s1.
What are the key properties of 2-[(1S)-1-[[6-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-cyclopropylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(2-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-fluorophenyl)quinazolin-4-one?
2-[(1S)-1-[[6-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-cyclopropylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(2-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-fluorophenyl)quinazolin-4-one has a molecular weight of 1951.74 g/mol, XLogP of 15.88, 23 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[[6-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]amino]ethyl]-5-chloro-3-cyclopropylquinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(2-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-methylphenyl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]propyl]-5-chloro-3-(3-fluorophenyl)quinazolin-4-one is sourced from PubChem (CID 162158512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).