1-N-[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine

C26H24F4N8O — CID 25070126

About 1-N-[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine

1-N-[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine (PubChem CID 25070126) has the molecular formula C26H24F4N8O and a molecular weight of 540.53 g/mol. Its IUPAC name is 1-N-[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine.

Molecular Properties

• Compound Name: 1-N-[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine
• PubChem CID: 25070126
• Molecular Formula: C26H24F4N8O
• Molecular Weight: 540.53 g/mol
• Exact Mass: 540.20
• IUPAC Name: 1-N-[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine
• SMILES: CN(C)c1cc(Nc2ccc(-c3cncc(-c4ncc(F)c(N5CCOCC5)n4)n3)nc2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C26H24F4N8O/c1-37(2)19-10-16(26(28,29)30)9-18(11-19)34-17-3-4-21(32-12-17)22-14-31-15-23(35-22)24-33-13-20(27)25(36-24)38-5-7-39-8-6-38/h3-4,9-15,34H,5-8H2,1-2H3
• InChIKey: SCYZZBMYUTWGIW-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 92.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.53
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-N-[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine?

The IUPAC name of 1-N-[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine (CID 25070126) is 1-N-[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine.

What is the SMILES notation for 1-N-[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine?

The canonical SMILES for 1-N-[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine is CN(C)c1cc(Nc2ccc(-c3cncc(-c4ncc(F)c(N5CCOCC5)n4)n3)nc2)cc(C(F)(F)F)c1.

What is the InChIKey of 1-N-[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine?

The InChIKey is SCYZZBMYUTWGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N8O/c1-37(2)19-10-16(26(28,29)30)9-18(11-19)34-17-3-4-21(32-12-17)22-14-31-15-23(35-22)24-33-13-20(27)25(36-24)38-5-7-39-8-6-38/h3-4,9-15,34H,5-8H2,1-2H3.

What are the key properties of 1-N-[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine?

1-N-[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine has a molecular weight of 540.53 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine is sourced from PubChem (CID 25070126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).