5-chloro-N-[2-[4-[(4,6-dichloro-3-pyridinyl)oxy]phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine

C19H17Cl3N4O — CID 90131265

About 5-chloro-N-[2-[4-[(4,6-dichloro-3-pyridinyl)oxy]phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine

5-chloro-N-[2-[4-[(4,6-dichloro-3-pyridinyl)oxy]phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 90131265) has the molecular formula C19H17Cl3N4O and a molecular weight of 423.73 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-[(4,6-dichloro-3-pyridinyl)oxy]phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-chloro-N-[2-[4-[(4,6-dichloro-3-pyridinyl)oxy]phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine
• PubChem CID: 90131265
• Molecular Formula: C19H17Cl3N4O
• Molecular Weight: 423.73 g/mol
• Exact Mass: 422.05
• IUPAC Name: 5-chloro-N-[2-[4-[(4,6-dichloro-3-pyridinyl)oxy]phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine
• SMILES: Cc1nc(C)c(Cl)c(NCCc2ccc(Oc3cnc(Cl)cc3Cl)cc2)n1
• InChI: InChI=1S/C19H17Cl3N4O/c1-11-18(22)19(26-12(2)25-11)23-8-7-13-3-5-14(6-4-13)27-16-10-24-17(21)9-15(16)20/h3-6,9-10H,7-8H2,1-2H3,(H,23,25,26)
• InChIKey: GEUDBFWIJXPATR-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 59.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.73
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[4-[(4,6-dichloro-3-pyridinyl)oxy]phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine?

The IUPAC name of 5-chloro-N-[2-[4-[(4,6-dichloro-3-pyridinyl)oxy]phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine (CID 90131265) is 5-chloro-N-[2-[4-[(4,6-dichloro-3-pyridinyl)oxy]phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine.

What is the SMILES notation for 5-chloro-N-[2-[4-[(4,6-dichloro-3-pyridinyl)oxy]phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine?

The canonical SMILES for 5-chloro-N-[2-[4-[(4,6-dichloro-3-pyridinyl)oxy]phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine is Cc1nc(C)c(Cl)c(NCCc2ccc(Oc3cnc(Cl)cc3Cl)cc2)n1.

What is the InChIKey of 5-chloro-N-[2-[4-[(4,6-dichloro-3-pyridinyl)oxy]phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine?

The InChIKey is GEUDBFWIJXPATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3N4O/c1-11-18(22)19(26-12(2)25-11)23-8-7-13-3-5-14(6-4-13)27-16-10-24-17(21)9-15(16)20/h3-6,9-10H,7-8H2,1-2H3,(H,23,25,26).

What are the key properties of 5-chloro-N-[2-[4-[(4,6-dichloro-3-pyridinyl)oxy]phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine?

5-chloro-N-[2-[4-[(4,6-dichloro-3-pyridinyl)oxy]phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 423.73 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-[4-[(4,6-dichloro-3-pyridinyl)oxy]phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 90131265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).