[(2R)-1-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol;5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine;[(2R)-1-[5-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C54H63Cl3N18O7S3 — CID 167551968

About [(2R)-1-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol;5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine;[(2R)-1-[5-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

[(2R)-1-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol;5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine;[(2R)-1-[5-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167551968) has the molecular formula C54H63Cl3N18O7S3 and a molecular weight of 1278.78 g/mol. Its IUPAC name is [(2R)-1-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol;5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine;[(2R)-1-[5-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

• Compound Name: [(2R)-1-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol;5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine;[(2R)-1-[5-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• PubChem CID: 167551968
• Molecular Formula: C54H63Cl3N18O7S3
• Molecular Weight: 1278.78 g/mol
• Exact Mass: 1276.34
• IUPAC Name: [(2R)-1-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol;5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine;[(2R)-1-[5-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• SMILES: COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@@H]4CO)c4ncsc4n3)c2)cc(C)c1C.Clc1nc(Cl)c2ncsc2n1.OC[C@H]1CCCN1.OC[C@H]1CCCN1c1nc(Cl)nc2scnc12
• InChI: InChI=1S/C22H25N7O2S.C12H15N3O3.C10H11ClN4OS.C5HCl2N3S.C5H11NO/c1-13-7-16(8-17(31-3)14(13)2)28-9-18(23-11-28)25-22-26-20(19-21(27-22)32-12-24-19)29-6-4-5-15(29)10-30;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;11-10-13-8(7-9(14-10)17-5-12-7)15-3-1-2-6(15)4-16;6-3-2-4(11-1-8-2)10-5(7)9-3;7-4-5-2-1-3-6-5/h7-9,11-12,15,30H,4-6,10H2,1-3H3,(H,25,26,27);4-7H,13H2,1-3H3;5-6,16H,1-4H2;1H;5-7H,1-4H2/t15-;;6-;;5-/m1.1.1/s1
• InChIKey: CNHZZOVKFAPKLO-AKZSSHTESA-N
• XLogP: 8.91
• TPSA: 305.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 13
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1278.78
LogP ≤ 5	8.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol;5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine;[(2R)-1-[5-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The IUPAC name of [(2R)-1-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol;5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine;[(2R)-1-[5-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167551968) is [(2R)-1-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol;5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine;[(2R)-1-[5-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

What is the SMILES notation for [(2R)-1-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol;5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine;[(2R)-1-[5-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The canonical SMILES for [(2R)-1-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol;5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine;[(2R)-1-[5-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@@H]4CO)c4ncsc4n3)c2)cc(C)c1C.Clc1nc(Cl)c2ncsc2n1.OC[C@H]1CCCN1.OC[C@H]1CCCN1c1nc(Cl)nc2scnc12.

What is the InChIKey of [(2R)-1-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol;5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine;[(2R)-1-[5-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The InChIKey is CNHZZOVKFAPKLO-AKZSSHTESA-N. The full InChI is InChI=1S/C22H25N7O2S.C12H15N3O3.C10H11ClN4OS.C5HCl2N3S.C5H11NO/c1-13-7-16(8-17(31-3)14(13)2)28-9-18(23-11-28)25-22-26-20(19-21(27-22)32-12-24-19)29-6-4-5-15(29)10-30;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;11-10-13-8(7-9(14-10)17-5-12-7)15-3-1-2-6(15)4-16;6-3-2-4(11-1-8-2)10-5(7)9-3;7-4-5-2-1-3-6-5/h7-9,11-12,15,30H,4-6,10H2,1-3H3,(H,25,26,27);4-7H,13H2,1-3H3;5-6,16H,1-4H2;1H;5-7H,1-4H2/t15-;;6-;;5-/m1.1.1/s1.

What are the key properties of [(2R)-1-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol;5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine;[(2R)-1-[5-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

[(2R)-1-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol;5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine;[(2R)-1-[5-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 1278.78 g/mol, XLogP of 8.91, 13 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidin-2-yl]methanol;5,7-dichloro-[1,3]thiazolo[5,4-d]pyrimidine;[(2R)-1-[5-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol;[(2R)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167551968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).