N-[2-(1,3-benzothiazol-5-yl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(2-chloro-4-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(4-chloro-3-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(2-fluoro-4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine);6-fluoro-2-methyl-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine)

C129H115Cl2F10N33S — CID 162103479

About N-[2-(1,3-benzothiazol-5-yl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(2-chloro-4-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(4-chloro-3-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(2-fluoro-4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine);6-fluoro-2-methyl-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine)

N-[2-(1,3-benzothiazol-5-yl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(2-chloro-4-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(4-chloro-3-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(2-fluoro-4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine);6-fluoro-2-methyl-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine) (PubChem CID 162103479) has the molecular formula C129H115Cl2F10N33S and a molecular weight of 2420.52 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-5-yl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(2-chloro-4-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(4-chloro-3-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(2-fluoro-4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine);6-fluoro-2-methyl-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine).

Molecular Properties

• Compound Name: N-[2-(1,3-benzothiazol-5-yl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(2-chloro-4-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(4-chloro-3-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(2-fluoro-4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine);6-fluoro-2-methyl-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine)
• PubChem CID: 162103479
• Molecular Formula: C129H115Cl2F10N33S
• Molecular Weight: 2420.52 g/mol
• Exact Mass: 2417.90
• IUPAC Name: N-[2-(1,3-benzothiazol-5-yl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(2-chloro-4-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(4-chloro-3-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(2-fluoro-4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine);6-fluoro-2-methyl-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine)
• SMILES: Cc1cc(CCNc2ncnc3ncc(F)cc23)ccc1Cl.Cc1ccc(CCNc2nc(C)nc3ncc(F)cc23)cc1.Cc1ccc(CCNc2ncnc3ncc(F)cc23)c(Cl)c1.Cc1ccc(CCNc2ncnc3ncc(F)cc23)c(F)c1.Cc1ccc(CCNc2ncnc3ncc(F)cc23)c(F)c1.Cc1ccc(CCNc2ncnc3ncc(F)cc23)cc1.Cc1ccc(CCNc2ncnc3ncc(F)cc23)cc1.Fc1cnc2ncnc(NCCc3ccc4scnc4c3)c2c1
• InChI: InChI=1S/C17H17FN4.2C16H14ClFN4.2C16H14F2N4.C16H12FN5S.2C16H15FN4/c1-11-3-5-13(6-4-11)7-8-19-16-15-9-14(18)10-20-17(15)22-12(2)21-16;1-10-6-11(2-3-14(10)17)4-5-19-15-13-7-12(18)8-20-16(13)22-9-21-15;1-10-2-3-11(14(17)6-10)4-5-19-15-13-7-12(18)8-20-16(13)22-9-21-15;2*1-10-2-3-11(14(18)6-10)4-5-19-15-13-7-12(17)8-20-16(13)22-9-21-15;17-11-6-12-15(20-8-21-16(12)19-7-11)18-4-3-10-1-2-14-13(5-10)22-9-23-14;2*1-11-2-4-12(5-3-11)6-7-18-15-14-8-13(17)9-19-16(14)21-10-20-15/h3-6,9-10H,7-8H2,1-2H3,(H,19,20,21,22);4*2-3,6-9H,4-5H2,1H3,(H,19,20,21,22);1-2,5-9H,3-4H2,(H,18,19,20,21);2*2-5,8-10H,6-7H2,1H3,(H,18,19,20,21)
• InChIKey: ZFESGMCFHXLKOW-UHFFFAOYSA-N
• XLogP: 27.21
• TPSA: 418.49 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 32
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2420.52
LogP ≤ 5	27.21
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-5-yl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(2-chloro-4-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(4-chloro-3-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(2-fluoro-4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine);6-fluoro-2-methyl-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine)?

The IUPAC name of N-[2-(1,3-benzothiazol-5-yl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(2-chloro-4-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(4-chloro-3-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(2-fluoro-4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine);6-fluoro-2-methyl-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine) (CID 162103479) is N-[2-(1,3-benzothiazol-5-yl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(2-chloro-4-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(4-chloro-3-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(2-fluoro-4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine);6-fluoro-2-methyl-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine).

What is the SMILES notation for N-[2-(1,3-benzothiazol-5-yl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(2-chloro-4-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(4-chloro-3-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(2-fluoro-4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine);6-fluoro-2-methyl-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine)?

The canonical SMILES for N-[2-(1,3-benzothiazol-5-yl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(2-chloro-4-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(4-chloro-3-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(2-fluoro-4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine);6-fluoro-2-methyl-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine) is Cc1cc(CCNc2ncnc3ncc(F)cc23)ccc1Cl.Cc1ccc(CCNc2nc(C)nc3ncc(F)cc23)cc1.Cc1ccc(CCNc2ncnc3ncc(F)cc23)c(Cl)c1.Cc1ccc(CCNc2ncnc3ncc(F)cc23)c(F)c1.Cc1ccc(CCNc2ncnc3ncc(F)cc23)c(F)c1.Cc1ccc(CCNc2ncnc3ncc(F)cc23)cc1.Cc1ccc(CCNc2ncnc3ncc(F)cc23)cc1.Fc1cnc2ncnc(NCCc3ccc4scnc4c3)c2c1.

What is the InChIKey of N-[2-(1,3-benzothiazol-5-yl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(2-chloro-4-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(4-chloro-3-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(2-fluoro-4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine);6-fluoro-2-methyl-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine)?

The InChIKey is ZFESGMCFHXLKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4.2C16H14ClFN4.2C16H14F2N4.C16H12FN5S.2C16H15FN4/c1-11-3-5-13(6-4-11)7-8-19-16-15-9-14(18)10-20-17(15)22-12(2)21-16;1-10-6-11(2-3-14(10)17)4-5-19-15-13-7-12(18)8-20-16(13)22-9-21-15;1-10-2-3-11(14(17)6-10)4-5-19-15-13-7-12(18)8-20-16(13)22-9-21-15;2*1-10-2-3-11(14(18)6-10)4-5-19-15-13-7-12(17)8-20-16(13)22-9-21-15;17-11-6-12-15(20-8-21-16(12)19-7-11)18-4-3-10-1-2-14-13(5-10)22-9-23-14;2*1-11-2-4-12(5-3-11)6-7-18-15-14-8-13(17)9-19-16(14)21-10-20-15/h3-6,9-10H,7-8H2,1-2H3,(H,19,20,21,22);4*2-3,6-9H,4-5H2,1H3,(H,19,20,21,22);1-2,5-9H,3-4H2,(H,18,19,20,21);2*2-5,8-10H,6-7H2,1H3,(H,18,19,20,21).

What are the key properties of N-[2-(1,3-benzothiazol-5-yl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(2-chloro-4-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(4-chloro-3-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(2-fluoro-4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine);6-fluoro-2-methyl-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine)?

N-[2-(1,3-benzothiazol-5-yl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(2-chloro-4-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(4-chloro-3-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(2-fluoro-4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine);6-fluoro-2-methyl-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine) has a molecular weight of 2420.52 g/mol, XLogP of 27.21, 32 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1,3-benzothiazol-5-yl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(2-chloro-4-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;N-[2-(4-chloro-3-methylphenyl)ethyl]-6-fluoropyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(2-fluoro-4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine);6-fluoro-2-methyl-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine;bis(6-fluoro-N-[2-(4-methylphenyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine) is sourced from PubChem (CID 162103479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).