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

C26H24F4N8O — CID 25069804

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

1-N-[6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine (PubChem CID 25069804) has the molecular formula C26H24F4N8O and a molecular weight of 540.53 g/mol. Its IUPAC name is 1-N-[6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine.

Molecular Properties

• Compound Name: 1-N-[6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine
• PubChem CID: 25069804
• Molecular Formula: C26H24F4N8O
• Molecular Weight: 540.53 g/mol
• Exact Mass: 540.20
• IUPAC Name: 1-N-[6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine
• SMILES: CN(C)c1cc(Nc2ccc(-c3ccnc(-c4ncc(F)c(N5CCOCC5)n4)n3)nc2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C26H24F4N8O/c1-37(2)19-12-16(26(28,29)30)11-18(13-19)34-17-3-4-21(32-14-17)22-5-6-31-23(35-22)24-33-15-20(27)25(36-24)38-7-9-39-10-8-38/h3-6,11-15,34H,7-10H2,1-2H3
• InChIKey: YFJKBORBZDVZSV-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-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine?

The IUPAC name of 1-N-[6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine (CID 25069804) is 1-N-[6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine.

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

The canonical SMILES for 1-N-[6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine is CN(C)c1cc(Nc2ccc(-c3ccnc(-c4ncc(F)c(N5CCOCC5)n4)n3)nc2)cc(C(F)(F)F)c1.

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

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

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

1-N-[6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-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-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]-3-N,3-N-dimethyl-5-(trifluoromethyl)benzene-1,3-diamine is sourced from PubChem (CID 25069804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).