N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxypyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4,6-trichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;methane

C109H102BrCl9N26O6 — CID 158776050

About N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxypyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4,6-trichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;methane

N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxypyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4,6-trichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;methane (PubChem CID 158776050) has the molecular formula C109H102BrCl9N26O6 and a molecular weight of 2271.17 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxypyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4,6-trichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;methane.

Molecular Properties

• Compound Name: N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxypyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4,6-trichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;methane
• PubChem CID: 158776050
• Molecular Formula: C109H102BrCl9N26O6
• Molecular Weight: 2271.17 g/mol
• Exact Mass: 2264.49
• IUPAC Name: N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxypyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4,6-trichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;methane
• SMILES: C.C.C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(Br)c(Cl)c4)ncnc3cn2)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(Cl)c(-c5cnco5)c4)ncnc3cn2)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4)ncnc3cn2)C1.C=CC(=C)N1CCC(Oc2cc3c(Nc4c(Cl)cc(Cl)cc4Cl)ncnc3cn2)CC1.C=CC(=C)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4)ncnc3cn2)CC1
• InChI: InChI=1S/C23H19ClN6O2.C22H20Cl3N5O.C22H21Cl2N5O.C20H17BrClN5O.C20H17Cl2N5O.2CH4/c1-3-14(2)30-10-16(11-30)32-22-7-18-20(8-26-22)27-12-28-23(18)29-15-4-5-19(24)17(6-15)21-9-25-13-31-21;1-3-13(2)30-6-4-15(5-7-30)31-20-10-16-19(11-26-20)27-12-28-22(16)29-21-17(24)8-14(23)9-18(21)25;1-3-14(2)29-8-6-16(7-9-29)30-21-11-17-20(12-25-21)26-13-27-22(17)28-15-4-5-18(23)19(24)10-15;2*1-3-12(2)27-9-14(10-27)28-19-7-15-18(8-23-19)24-11-25-20(15)26-13-4-5-16(21)17(22)6-13;;/h3-9,12-13,16H,1-2,10-11H2,(H,27,28,29);3,8-12,15H,1-2,4-7H2,(H,27,28,29);3-5,10-13,16H,1-2,6-9H2,(H,26,27,28);2*3-8,11,14H,1-2,9-10H2,(H,24,25,26);2*1H4
• InChIKey: IQMDZXFUPFTFRU-UHFFFAOYSA-N
• XLogP: 27.79
• TPSA: 341.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2271.17
LogP ≤ 5	27.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxypyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4,6-trichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;methane?

The IUPAC name of N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxypyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4,6-trichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;methane (CID 158776050) is N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxypyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4,6-trichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;methane.

What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxypyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4,6-trichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;methane?

The canonical SMILES for N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxypyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4,6-trichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;methane is C.C.C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(Br)c(Cl)c4)ncnc3cn2)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(Cl)c(-c5cnco5)c4)ncnc3cn2)C1.C=CC(=C)N1CC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4)ncnc3cn2)C1.C=CC(=C)N1CCC(Oc2cc3c(Nc4c(Cl)cc(Cl)cc4Cl)ncnc3cn2)CC1.C=CC(=C)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4)ncnc3cn2)CC1.

What is the InChIKey of N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxypyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4,6-trichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;methane?

The InChIKey is IQMDZXFUPFTFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O2.C22H20Cl3N5O.C22H21Cl2N5O.C20H17BrClN5O.C20H17Cl2N5O.2CH4/c1-3-14(2)30-10-16(11-30)32-22-7-18-20(8-26-22)27-12-28-23(18)29-15-4-5-19(24)17(6-15)21-9-25-13-31-21;1-3-13(2)30-6-4-15(5-7-30)31-20-10-16-19(11-26-20)27-12-28-22(16)29-21-17(24)8-14(23)9-18(21)25;1-3-14(2)29-8-6-16(7-9-29)30-21-11-17-20(12-25-21)26-13-27-22(17)28-15-4-5-18(23)19(24)10-15;2*1-3-12(2)27-9-14(10-27)28-19-7-15-18(8-23-19)24-11-25-20(15)26-13-4-5-16(21)17(22)6-13;;/h3-9,12-13,16H,1-2,10-11H2,(H,27,28,29);3,8-12,15H,1-2,4-7H2,(H,27,28,29);3-5,10-13,16H,1-2,6-9H2,(H,26,27,28);2*3-8,11,14H,1-2,9-10H2,(H,24,25,26);2*1H4.

What are the key properties of N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxypyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4,6-trichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;methane?

N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxypyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4,6-trichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;methane has a molecular weight of 2271.17 g/mol, XLogP of 27.79, 31 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromo-3-chlorophenyl)-6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxypyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-[4-chloro-3-(1,3-oxazol-5-yl)phenyl]pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylazetidin-3-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(3,4-dichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;6-(1-buta-1,3-dien-2-ylpiperidin-4-yl)oxy-N-(2,4,6-trichlorophenyl)pyrido[3,4-d]pyrimidin-4-amine;methane is sourced from PubChem (CID 158776050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).