6-(2-amino-6-methylpyrimidin-4-yl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one

C27H31N7O2 — CID 66888594

About 6-(2-amino-6-methylpyrimidin-4-yl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one

6-(2-amino-6-methylpyrimidin-4-yl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 66888594) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 6-(2-amino-6-methylpyrimidin-4-yl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 6-(2-amino-6-methylpyrimidin-4-yl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
• PubChem CID: 66888594
• Molecular Formula: C27H31N7O2
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.25
• IUPAC Name: 6-(2-amino-6-methylpyrimidin-4-yl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
• SMILES: COCCN1CCC(c2ccc(Nc3nc(-c4cc(C)nc(N)n4)cc4cc[nH]c(=O)c34)cc2)CC1
• InChI: InChI=1S/C27H31N7O2/c1-17-15-22(33-27(28)30-17)23-16-20-7-10-29-26(35)24(20)25(32-23)31-21-5-3-18(4-6-21)19-8-11-34(12-9-19)13-14-36-2/h3-7,10,15-16,19H,8-9,11-14H2,1-2H3,(H,29,35)(H,31,32)(H2,28,30,33)
• InChIKey: XAYRLGQVXJOTEQ-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 122.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-6-methylpyrimidin-4-yl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?

The IUPAC name of 6-(2-amino-6-methylpyrimidin-4-yl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one (CID 66888594) is 6-(2-amino-6-methylpyrimidin-4-yl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one.

What is the SMILES notation for 6-(2-amino-6-methylpyrimidin-4-yl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?

The canonical SMILES for 6-(2-amino-6-methylpyrimidin-4-yl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one is COCCN1CCC(c2ccc(Nc3nc(-c4cc(C)nc(N)n4)cc4cc[nH]c(=O)c34)cc2)CC1.

What is the InChIKey of 6-(2-amino-6-methylpyrimidin-4-yl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?

The InChIKey is XAYRLGQVXJOTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-17-15-22(33-27(28)30-17)23-16-20-7-10-29-26(35)24(20)25(32-23)31-21-5-3-18(4-6-21)19-8-11-34(12-9-19)13-14-36-2/h3-7,10,15-16,19H,8-9,11-14H2,1-2H3,(H,29,35)(H,31,32)(H2,28,30,33).

What are the key properties of 6-(2-amino-6-methylpyrimidin-4-yl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?

6-(2-amino-6-methylpyrimidin-4-yl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 485.59 g/mol, XLogP of 3.84, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-amino-6-methylpyrimidin-4-yl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 66888594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).