1-[3-amino-6-(2-fluoro-4-methylphenyl)-2-pyridinyl]-2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]ethanone

C24H21FN6O — CID 160605830

About 1-[3-amino-6-(2-fluoro-4-methylphenyl)-2-pyridinyl]-2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]ethanone

1-[3-amino-6-(2-fluoro-4-methylphenyl)-2-pyridinyl]-2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]ethanone (PubChem CID 160605830) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 1-[3-amino-6-(2-fluoro-4-methylphenyl)-2-pyridinyl]-2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 1-[3-amino-6-(2-fluoro-4-methylphenyl)-2-pyridinyl]-2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]ethanone
• PubChem CID: 160605830
• Molecular Formula: C24H21FN6O
• Molecular Weight: 428.47 g/mol
• Exact Mass: 428.18
• IUPAC Name: 1-[3-amino-6-(2-fluoro-4-methylphenyl)-2-pyridinyl]-2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]ethanone
• SMILES: Cc1ccc(-c2ccc(N)c(C(=O)Cc3cnccc3-c3cc(N)nc(C)n3)n2)c(F)c1
• InChI: InChI=1S/C24H21FN6O/c1-13-3-4-17(18(25)9-13)20-6-5-19(26)24(31-20)22(32)10-15-12-28-8-7-16(15)21-11-23(27)30-14(2)29-21/h3-9,11-12H,10,26H2,1-2H3,(H2,27,29,30)
• InChIKey: REVWXZALUCNGDK-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 120.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.47
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(2-fluoro-4-methylphenyl)-2-pyridinyl]-2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]ethanone?

The IUPAC name of 1-[3-amino-6-(2-fluoro-4-methylphenyl)-2-pyridinyl]-2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]ethanone (CID 160605830) is 1-[3-amino-6-(2-fluoro-4-methylphenyl)-2-pyridinyl]-2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]ethanone.

What is the SMILES notation for 1-[3-amino-6-(2-fluoro-4-methylphenyl)-2-pyridinyl]-2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]ethanone?

The canonical SMILES for 1-[3-amino-6-(2-fluoro-4-methylphenyl)-2-pyridinyl]-2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]ethanone is Cc1ccc(-c2ccc(N)c(C(=O)Cc3cnccc3-c3cc(N)nc(C)n3)n2)c(F)c1.

What is the InChIKey of 1-[3-amino-6-(2-fluoro-4-methylphenyl)-2-pyridinyl]-2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]ethanone?

The InChIKey is REVWXZALUCNGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c1-13-3-4-17(18(25)9-13)20-6-5-19(26)24(31-20)22(32)10-15-12-28-8-7-16(15)21-11-23(27)30-14(2)29-21/h3-9,11-12H,10,26H2,1-2H3,(H2,27,29,30).

What are the key properties of 1-[3-amino-6-(2-fluoro-4-methylphenyl)-2-pyridinyl]-2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]ethanone?

1-[3-amino-6-(2-fluoro-4-methylphenyl)-2-pyridinyl]-2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]ethanone has a molecular weight of 428.47 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-6-(2-fluoro-4-methylphenyl)-2-pyridinyl]-2-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 160605830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).