6-chloro-2-(4-methylpiperazin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propyl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine

C114H143Cl2N37S6 — CID 158271149

About 6-chloro-2-(4-methylpiperazin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propyl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine

6-chloro-2-(4-methylpiperazin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propyl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 158271149) has the molecular formula C114H143Cl2N37S6 and a molecular weight of 2294.96 g/mol. Its IUPAC name is 6-chloro-2-(4-methylpiperazin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propyl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-chloro-2-(4-methylpiperazin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propyl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine
• PubChem CID: 158271149
• Molecular Formula: C114H143Cl2N37S6
• Molecular Weight: 2294.96 g/mol
• Exact Mass: 2292.00
• IUPAC Name: 6-chloro-2-(4-methylpiperazin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propyl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine
• SMILES: CC(C)c1cc2c(NCCc3cccs3)nc(N3CCN(C)CC3)nc2cn1.CCCc1cc2c(NCCc3cccs3)nc(N3CCN(C)CC3)nc2cn1.CN1CCN(c2nc(NCCc3cccs3)c3cc(Cl)ncc3n2)CC1.CN1CCN(c2nc(NCCc3cccs3)c3ccncc3n2)CC1.CN1CCN(c2nc(NCCc3nccs3)c3cc(Cl)ncc3n2)CC1.Cc1cc2c(NCCc3cccs3)nc(N3CCN(C)CC3)nc2cn1
• InChI: InChI=1S/2C21H28N6S.C19H24N6S.C18H21ClN6S.C18H22N6S.C17H20ClN7S/c1-15(2)18-13-17-19(14-23-18)24-21(27-10-8-26(3)9-11-27)25-20(17)22-7-6-16-5-4-12-28-16;1-3-5-16-14-18-19(15-23-16)24-21(27-11-9-26(2)10-12-27)25-20(18)22-8-7-17-6-4-13-28-17;1-14-12-16-17(13-21-14)22-19(25-9-7-24(2)8-10-25)23-18(16)20-6-5-15-4-3-11-26-15;1-24-6-8-25(9-7-24)18-22-15-12-21-16(19)11-14(15)17(23-18)20-5-4-13-3-2-10-26-13;1-23-8-10-24(11-9-23)18-21-16-13-19-6-5-15(16)17(22-18)20-7-4-14-3-2-12-25-14;1-24-5-7-25(8-6-24)17-22-13-11-21-14(18)10-12(13)16(23-17)20-3-2-15-19-4-9-26-15/h4-5,12-15H,6-11H2,1-3H3,(H,22,24,25);4,6,13-15H,3,5,7-12H2,1-2H3,(H,22,24,25);3-4,11-13H,5-10H2,1-2H3,(H,20,22,23);2-3,10-12H,4-9H2,1H3,(H,20,22,23);2-3,5-6,12-13H,4,7-11H2,1H3,(H,20,21,22);4,9-11H,2-3,5-8H2,1H3,(H,20,22,23)
• InChIKey: GJAVGYKFYODQAC-UHFFFAOYSA-N
• XLogP: 18.04
• TPSA: 355.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 33
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2294.96
LogP ≤ 5	18.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propyl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine?

The IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propyl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine (CID 158271149) is 6-chloro-2-(4-methylpiperazin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propyl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 6-chloro-2-(4-methylpiperazin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propyl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 6-chloro-2-(4-methylpiperazin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propyl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine is CC(C)c1cc2c(NCCc3cccs3)nc(N3CCN(C)CC3)nc2cn1.CCCc1cc2c(NCCc3cccs3)nc(N3CCN(C)CC3)nc2cn1.CN1CCN(c2nc(NCCc3cccs3)c3cc(Cl)ncc3n2)CC1.CN1CCN(c2nc(NCCc3cccs3)c3ccncc3n2)CC1.CN1CCN(c2nc(NCCc3nccs3)c3cc(Cl)ncc3n2)CC1.Cc1cc2c(NCCc3cccs3)nc(N3CCN(C)CC3)nc2cn1.

What is the InChIKey of 6-chloro-2-(4-methylpiperazin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propyl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine?

The InChIKey is GJAVGYKFYODQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H28N6S.C19H24N6S.C18H21ClN6S.C18H22N6S.C17H20ClN7S/c1-15(2)18-13-17-19(14-23-18)24-21(27-10-8-26(3)9-11-27)25-20(17)22-7-6-16-5-4-12-28-16;1-3-5-16-14-18-19(15-23-16)24-21(27-11-9-26(2)10-12-27)25-20(18)22-8-7-17-6-4-13-28-17;1-14-12-16-17(13-21-14)22-19(25-9-7-24(2)8-10-25)23-18(16)20-6-5-15-4-3-11-26-15;1-24-6-8-25(9-7-24)18-22-15-12-21-16(19)11-14(15)17(23-18)20-5-4-13-3-2-10-26-13;1-23-8-10-24(11-9-23)18-21-16-13-19-6-5-15(16)17(22-18)20-7-4-14-3-2-12-25-14;1-24-5-7-25(8-6-24)17-22-13-11-21-14(18)10-12(13)16(23-17)20-3-2-15-19-4-9-26-15/h4-5,12-15H,6-11H2,1-3H3,(H,22,24,25);4,6,13-15H,3,5,7-12H2,1-2H3,(H,22,24,25);3-4,11-13H,5-10H2,1-2H3,(H,20,22,23);2-3,10-12H,4-9H2,1H3,(H,20,22,23);2-3,5-6,12-13H,4,7-11H2,1H3,(H,20,21,22);4,9-11H,2-3,5-8H2,1H3,(H,20,22,23).

What are the key properties of 6-chloro-2-(4-methylpiperazin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propyl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine?

6-chloro-2-(4-methylpiperazin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propyl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 2294.96 g/mol, XLogP of 18.04, 33 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-(4-methylpiperazin-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-6-propyl-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine;2-(4-methylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158271149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).