N-benzyl-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(furan-2-ylmethyl)-2-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine;bis(6-chloro-N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine);6-chloro-2-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(3H-pyrrol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine

C146H170Cl8N50OS — CID 159619612

About N-benzyl-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(furan-2-ylmethyl)-2-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine;bis(6-chloro-N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine);6-chloro-2-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(3H-pyrrol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine

N-benzyl-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(furan-2-ylmethyl)-2-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine;bis(6-chloro-N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine);6-chloro-2-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(3H-pyrrol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 159619612) has the molecular formula C146H170Cl8N50OS and a molecular weight of 2957.01 g/mol. Its IUPAC name is N-benzyl-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(furan-2-ylmethyl)-2-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine;bis(6-chloro-N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine);6-chloro-2-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(3H-pyrrol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-benzyl-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(furan-2-ylmethyl)-2-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine;bis(6-chloro-N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine);6-chloro-2-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(3H-pyrrol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
• PubChem CID: 159619612
• Molecular Formula: C146H170Cl8N50OS
• Molecular Weight: 2957.01 g/mol
• Exact Mass: 2951.20
• IUPAC Name: N-benzyl-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(furan-2-ylmethyl)-2-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine;bis(6-chloro-N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine);6-chloro-2-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(3H-pyrrol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
• SMILES: CN1CCN(c2nc(NCC3=NC=CC3)c3cc(Cl)ncc3n2)CC1.CN1CCN(c2nc(NCC3CCCCC3)c3cc(Cl)ncc3n2)CC1.CN1CCN(c2nc(NCc3ccccc3)c3cc(Cl)ncc3n2)CC1.CN1CCN(c2nc(NCc3ccccn3)c3cc(Cl)ncc3n2)CC1.CN1CCN(c2nc(NCc3nccs3)c3cc(Cl)ncc3n2)CC1.Cc1ccc(CNc2nc(N3CCN(C)CC3)nc3cnc(Cl)cc23)cc1.Cc1ccc(CNc2nc(N3CCN(C)CC3)nc3cnc(Cl)cc23)cc1.Clc1cc2c(NCc3ccco3)nc(N3CCCCC3)nc2cn1
• InChI: InChI=1S/2C20H23ClN6.C19H27ClN6.C19H21ClN6.C18H20ClN7.C17H20ClN7.C17H18ClN5O.C16H18ClN7S/c2*1-14-3-5-15(6-4-14)12-23-19-16-11-18(21)22-13-17(16)24-20(25-19)27-9-7-26(2)8-10-27;2*1-25-7-9-26(10-8-25)19-23-16-13-21-17(20)11-15(16)18(24-19)22-12-14-5-3-2-4-6-14;1-25-6-8-26(9-7-25)18-23-15-12-21-16(19)10-14(15)17(24-18)22-11-13-4-2-3-5-20-13;1-24-5-7-25(8-6-24)17-22-14-11-20-15(18)9-13(14)16(23-17)21-10-12-3-2-4-19-12;18-15-9-13-14(11-19-15)21-17(23-6-2-1-3-7-23)22-16(13)20-10-12-5-4-8-24-12;1-23-3-5-24(6-4-23)16-21-12-9-19-13(17)8-11(12)15(22-16)20-10-14-18-2-7-25-14/h2*3-6,11,13H,7-10,12H2,1-2H3,(H,23,24,25);11,13-14H,2-10,12H2,1H3,(H,22,23,24);2-6,11,13H,7-10,12H2,1H3,(H,22,23,24);2-5,10,12H,6-9,11H2,1H3,(H,22,23,24);2,4,9,11H,3,5-8,10H2,1H3,(H,21,22,23);4-5,8-9,11H,1-3,6-7,10H2,(H,20,21,22);2,7-9H,3-6,10H2,1H3,(H,20,21,22)
• InChIKey: MNSMISJWMXDDDW-UHFFFAOYSA-N
• XLogP: 24.17
• TPSA: 505.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 52
• Rotatable Bonds: 32
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2957.01
LogP ≤ 5	24.17
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(furan-2-ylmethyl)-2-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine;bis(6-chloro-N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine);6-chloro-2-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(3H-pyrrol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?

The IUPAC name of N-benzyl-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(furan-2-ylmethyl)-2-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine;bis(6-chloro-N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine);6-chloro-2-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(3H-pyrrol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine (CID 159619612) is N-benzyl-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(furan-2-ylmethyl)-2-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine;bis(6-chloro-N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine);6-chloro-2-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(3H-pyrrol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for N-benzyl-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(furan-2-ylmethyl)-2-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine;bis(6-chloro-N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine);6-chloro-2-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(3H-pyrrol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?

The canonical SMILES for N-benzyl-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(furan-2-ylmethyl)-2-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine;bis(6-chloro-N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine);6-chloro-2-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(3H-pyrrol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine is CN1CCN(c2nc(NCC3=NC=CC3)c3cc(Cl)ncc3n2)CC1.CN1CCN(c2nc(NCC3CCCCC3)c3cc(Cl)ncc3n2)CC1.CN1CCN(c2nc(NCc3ccccc3)c3cc(Cl)ncc3n2)CC1.CN1CCN(c2nc(NCc3ccccn3)c3cc(Cl)ncc3n2)CC1.CN1CCN(c2nc(NCc3nccs3)c3cc(Cl)ncc3n2)CC1.Cc1ccc(CNc2nc(N3CCN(C)CC3)nc3cnc(Cl)cc23)cc1.Cc1ccc(CNc2nc(N3CCN(C)CC3)nc3cnc(Cl)cc23)cc1.Clc1cc2c(NCc3ccco3)nc(N3CCCCC3)nc2cn1.

What is the InChIKey of N-benzyl-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(furan-2-ylmethyl)-2-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine;bis(6-chloro-N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine);6-chloro-2-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(3H-pyrrol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?

The InChIKey is MNSMISJWMXDDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H23ClN6.C19H27ClN6.C19H21ClN6.C18H20ClN7.C17H20ClN7.C17H18ClN5O.C16H18ClN7S/c2*1-14-3-5-15(6-4-14)12-23-19-16-11-18(21)22-13-17(16)24-20(25-19)27-9-7-26(2)8-10-27;2*1-25-7-9-26(10-8-25)19-23-16-13-21-17(20)11-15(16)18(24-19)22-12-14-5-3-2-4-6-14;1-25-6-8-26(9-7-25)18-23-15-12-21-16(19)10-14(15)17(24-18)22-11-13-4-2-3-5-20-13;1-24-5-7-25(8-6-24)17-22-14-11-20-15(18)9-13(14)16(23-17)21-10-12-3-2-4-19-12;18-15-9-13-14(11-19-15)21-17(23-6-2-1-3-7-23)22-16(13)20-10-12-5-4-8-24-12;1-23-3-5-24(6-4-23)16-21-12-9-19-13(17)8-11(12)15(22-16)20-10-14-18-2-7-25-14/h2*3-6,11,13H,7-10,12H2,1-2H3,(H,23,24,25);11,13-14H,2-10,12H2,1H3,(H,22,23,24);2-6,11,13H,7-10,12H2,1H3,(H,22,23,24);2-5,10,12H,6-9,11H2,1H3,(H,22,23,24);2,4,9,11H,3,5-8,10H2,1H3,(H,21,22,23);4-5,8-9,11H,1-3,6-7,10H2,(H,20,21,22);2,7-9H,3-6,10H2,1H3,(H,20,21,22).

What are the key properties of N-benzyl-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(furan-2-ylmethyl)-2-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine;bis(6-chloro-N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine);6-chloro-2-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(3H-pyrrol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine?

N-benzyl-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(furan-2-ylmethyl)-2-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine;bis(6-chloro-N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine);6-chloro-2-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(3H-pyrrol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 2957.01 g/mol, XLogP of 24.17, 32 rotatable bonds, 8 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-6-chloro-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-N-(furan-2-ylmethyl)-2-piperidin-1-ylpyrido[3,4-d]pyrimidin-4-amine;bis(6-chloro-N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-amine);6-chloro-2-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(3H-pyrrol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine;6-chloro-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159619612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).