5-[6-(2,6-dichloro-4-propoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine

C23H22Cl2N6OS — CID 58688561

About 5-[6-(2,6-dichloro-4-propoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine

5-[6-(2,6-dichloro-4-propoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 58688561) has the molecular formula C23H22Cl2N6OS and a molecular weight of 501.44 g/mol. Its IUPAC name is 5-[6-(2,6-dichloro-4-propoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 5-[6-(2,6-dichloro-4-propoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
• PubChem CID: 58688561
• Molecular Formula: C23H22Cl2N6OS
• Molecular Weight: 501.44 g/mol
• Exact Mass: 500.10
• IUPAC Name: 5-[6-(2,6-dichloro-4-propoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
• SMILES: CCCNc1ncc(-c2cc(-c3c(Cl)cc(OCCC)cc3Cl)nc(-c3cnccn3)n2)s1
• InChI: InChI=1S/C23H22Cl2N6OS/c1-3-5-28-23-29-13-20(33-23)17-11-18(31-22(30-17)19-12-26-6-7-27-19)21-15(24)9-14(10-16(21)25)32-8-4-2/h6-7,9-13H,3-5,8H2,1-2H3,(H,28,29)
• InChIKey: XCZSICUSGXTGKT-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 85.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.44
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2,6-dichloro-4-propoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?

The IUPAC name of 5-[6-(2,6-dichloro-4-propoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine (CID 58688561) is 5-[6-(2,6-dichloro-4-propoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine.

What is the SMILES notation for 5-[6-(2,6-dichloro-4-propoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?

The canonical SMILES for 5-[6-(2,6-dichloro-4-propoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(-c2cc(-c3c(Cl)cc(OCCC)cc3Cl)nc(-c3cnccn3)n2)s1.

What is the InChIKey of 5-[6-(2,6-dichloro-4-propoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?

The InChIKey is XCZSICUSGXTGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N6OS/c1-3-5-28-23-29-13-20(33-23)17-11-18(31-22(30-17)19-12-26-6-7-27-19)21-15(24)9-14(10-16(21)25)32-8-4-2/h6-7,9-13H,3-5,8H2,1-2H3,(H,28,29).

What are the key properties of 5-[6-(2,6-dichloro-4-propoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?

5-[6-(2,6-dichloro-4-propoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 501.44 g/mol, XLogP of 6.64, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(2,6-dichloro-4-propoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 58688561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).