[(2S)-1-(2-chloropyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloropyrido[3,4-d]pyrimidine;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C60H69Cl3N18O7 — CID 167599330

About [(2S)-1-(2-chloropyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloropyrido[3,4-d]pyrimidine;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

[(2S)-1-(2-chloropyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloropyrido[3,4-d]pyrimidine;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167599330) has the molecular formula C60H69Cl3N18O7 and a molecular weight of 1260.69 g/mol. Its IUPAC name is [(2S)-1-(2-chloropyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloropyrido[3,4-d]pyrimidine;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

• Compound Name: [(2S)-1-(2-chloropyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloropyrido[3,4-d]pyrimidine;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• PubChem CID: 167599330
• Molecular Formula: C60H69Cl3N18O7
• Molecular Weight: 1260.69 g/mol
• Exact Mass: 1258.47
• IUPAC Name: [(2S)-1-(2-chloropyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloropyrido[3,4-d]pyrimidine;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-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)c4ccncc4n3)c2)cc(C)c1C.Clc1nc(Cl)c2ccncc2n1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Cl)nc2cnccc12
• InChI: InChI=1S/C24H27N7O2.C12H13ClN4O.C12H15N3O3.C7H3Cl2N3.C5H11NO/c1-15-9-18(10-21(33-3)16(15)2)30-12-22(26-14-30)28-24-27-20-11-25-7-6-19(20)23(29-24)31-8-4-5-17(31)13-32;13-12-15-10-6-14-4-3-9(10)11(16-12)17-5-1-2-8(17)7-18;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;8-6-4-1-2-10-3-5(4)11-7(9)12-6;7-4-5-2-1-3-6-5/h6-7,9-12,14,17,32H,4-5,8,13H2,1-3H3,(H,27,28,29);3-4,6,8,18H,1-2,5,7H2;4-7H,13H2,1-3H3;1-3H;5-7H,1-4H2/t17-;8-;;;5-/m00..0/s1
• InChIKey: JMXICUQFNCCKFZ-AIKXIZLYSA-N
• XLogP: 8.72
• TPSA: 305.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1260.69
LogP ≤ 5	8.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-chloropyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloropyrido[3,4-d]pyrimidine;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The IUPAC name of [(2S)-1-(2-chloropyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloropyrido[3,4-d]pyrimidine;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167599330) is [(2S)-1-(2-chloropyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloropyrido[3,4-d]pyrimidine;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

What is the SMILES notation for [(2S)-1-(2-chloropyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloropyrido[3,4-d]pyrimidine;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The canonical SMILES for [(2S)-1-(2-chloropyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloropyrido[3,4-d]pyrimidine;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-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)c4ccncc4n3)c2)cc(C)c1C.Clc1nc(Cl)c2ccncc2n1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Cl)nc2cnccc12.

What is the InChIKey of [(2S)-1-(2-chloropyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloropyrido[3,4-d]pyrimidine;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The InChIKey is JMXICUQFNCCKFZ-AIKXIZLYSA-N. The full InChI is InChI=1S/C24H27N7O2.C12H13ClN4O.C12H15N3O3.C7H3Cl2N3.C5H11NO/c1-15-9-18(10-21(33-3)16(15)2)30-12-22(26-14-30)28-24-27-20-11-25-7-6-19(20)23(29-24)31-8-4-5-17(31)13-32;13-12-15-10-6-14-4-3-9(10)11(16-12)17-5-1-2-8(17)7-18;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;8-6-4-1-2-10-3-5(4)11-7(9)12-6;7-4-5-2-1-3-6-5/h6-7,9-12,14,17,32H,4-5,8,13H2,1-3H3,(H,27,28,29);3-4,6,8,18H,1-2,5,7H2;4-7H,13H2,1-3H3;1-3H;5-7H,1-4H2/t17-;8-;;;5-/m00..0/s1.

What are the key properties of [(2S)-1-(2-chloropyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloropyrido[3,4-d]pyrimidine;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

[(2S)-1-(2-chloropyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloropyrido[3,4-d]pyrimidine;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 1260.69 g/mol, XLogP of 8.72, 13 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-(2-chloropyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;2,4-dichloropyrido[3,4-d]pyrimidine;[(2S)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167599330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).