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

C20H19Cl3N4O — CID 118344880

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

5-chloro-N-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]ethyl]-6-ethyl-2-methylpyrimidin-4-amine (PubChem CID 118344880) has the molecular formula C20H19Cl3N4O and a molecular weight of 437.76 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]ethyl]-6-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-chloro-N-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]ethyl]-6-ethyl-2-methylpyrimidin-4-amine
• PubChem CID: 118344880
• Molecular Formula: C20H19Cl3N4O
• Molecular Weight: 437.76 g/mol
• Exact Mass: 436.06
• IUPAC Name: 5-chloro-N-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]ethyl]-6-ethyl-2-methylpyrimidin-4-amine
• SMILES: CCc1nc(C)nc(NCCc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c1Cl
• InChI: InChI=1S/C20H19Cl3N4O/c1-3-17-18(23)19(27-12(2)26-17)24-9-8-13-4-6-15(7-5-13)28-20-16(22)10-14(21)11-25-20/h4-7,10-11H,3,8-9H2,1-2H3,(H,24,26,27)
• InChIKey: DKQWQSDBTJVPGZ-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 59.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.76
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-chloro-N-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]ethyl]-6-ethyl-2-methylpyrimidin-4-amine (CID 118344880) is 5-chloro-N-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]ethyl]-6-ethyl-2-methylpyrimidin-4-amine.

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

The canonical SMILES for 5-chloro-N-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]ethyl]-6-ethyl-2-methylpyrimidin-4-amine is CCc1nc(C)nc(NCCc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c1Cl.

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

The InChIKey is DKQWQSDBTJVPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl3N4O/c1-3-17-18(23)19(27-12(2)26-17)24-9-8-13-4-6-15(7-5-13)28-20-16(22)10-14(21)11-25-20/h4-7,10-11H,3,8-9H2,1-2H3,(H,24,26,27).

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

5-chloro-N-[2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]ethyl]-6-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 437.76 g/mol, XLogP of 6.15, 7 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-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]ethyl]-6-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 118344880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).