6-[2-(methylamino)pyrimidin-5-yl]-8-[4-(2-morpholin-4-ylethyl)anilino]-2H-2,7-naphthyridin-1-one

C25H27N7O2 — CID 58094165

About 6-[2-(methylamino)pyrimidin-5-yl]-8-[4-(2-morpholin-4-ylethyl)anilino]-2H-2,7-naphthyridin-1-one

6-[2-(methylamino)pyrimidin-5-yl]-8-[4-(2-morpholin-4-ylethyl)anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 58094165) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 6-[2-(methylamino)pyrimidin-5-yl]-8-[4-(2-morpholin-4-ylethyl)anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 6-[2-(methylamino)pyrimidin-5-yl]-8-[4-(2-morpholin-4-ylethyl)anilino]-2H-2,7-naphthyridin-1-one
• PubChem CID: 58094165
• Molecular Formula: C25H27N7O2
• Molecular Weight: 457.54 g/mol
• Exact Mass: 457.22
• IUPAC Name: 6-[2-(methylamino)pyrimidin-5-yl]-8-[4-(2-morpholin-4-ylethyl)anilino]-2H-2,7-naphthyridin-1-one
• SMILES: CNc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(CCN4CCOCC4)cc3)n2)cn1
• InChI: InChI=1S/C25H27N7O2/c1-26-25-28-15-19(16-29-25)21-14-18-6-8-27-24(33)22(18)23(31-21)30-20-4-2-17(3-5-20)7-9-32-10-12-34-13-11-32/h2-6,8,14-16H,7,9-13H2,1H3,(H,27,33)(H,30,31)(H,26,28,29)
• InChIKey: DCXVRONGMLNKAU-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 108.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.54
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylamino)pyrimidin-5-yl]-8-[4-(2-morpholin-4-ylethyl)anilino]-2H-2,7-naphthyridin-1-one?

The IUPAC name of 6-[2-(methylamino)pyrimidin-5-yl]-8-[4-(2-morpholin-4-ylethyl)anilino]-2H-2,7-naphthyridin-1-one (CID 58094165) is 6-[2-(methylamino)pyrimidin-5-yl]-8-[4-(2-morpholin-4-ylethyl)anilino]-2H-2,7-naphthyridin-1-one.

What is the SMILES notation for 6-[2-(methylamino)pyrimidin-5-yl]-8-[4-(2-morpholin-4-ylethyl)anilino]-2H-2,7-naphthyridin-1-one?

The canonical SMILES for 6-[2-(methylamino)pyrimidin-5-yl]-8-[4-(2-morpholin-4-ylethyl)anilino]-2H-2,7-naphthyridin-1-one is CNc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(CCN4CCOCC4)cc3)n2)cn1.

What is the InChIKey of 6-[2-(methylamino)pyrimidin-5-yl]-8-[4-(2-morpholin-4-ylethyl)anilino]-2H-2,7-naphthyridin-1-one?

The InChIKey is DCXVRONGMLNKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-26-25-28-15-19(16-29-25)21-14-18-6-8-27-24(33)22(18)23(31-21)30-20-4-2-17(3-5-20)7-9-32-10-12-34-13-11-32/h2-6,8,14-16H,7,9-13H2,1H3,(H,27,33)(H,30,31)(H,26,28,29).

What are the key properties of 6-[2-(methylamino)pyrimidin-5-yl]-8-[4-(2-morpholin-4-ylethyl)anilino]-2H-2,7-naphthyridin-1-one?

6-[2-(methylamino)pyrimidin-5-yl]-8-[4-(2-morpholin-4-ylethyl)anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 457.54 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(methylamino)pyrimidin-5-yl]-8-[4-(2-morpholin-4-ylethyl)anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).