2-[1-(1-adamantyl)ethylamino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide

C24H28F3N5O2 — CID 134556726

About 2-[1-(1-adamantyl)ethylamino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide

2-[1-(1-adamantyl)ethylamino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 134556726) has the molecular formula C24H28F3N5O2 and a molecular weight of 475.52 g/mol. Its IUPAC name is 2-[1-(1-adamantyl)ethylamino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(1-adamantyl)ethylamino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
• PubChem CID: 134556726
• Molecular Formula: C24H28F3N5O2
• Molecular Weight: 475.52 g/mol
• Exact Mass: 475.22
• IUPAC Name: 2-[1-(1-adamantyl)ethylamino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
• SMILES: CC(Nc1nccc(C(=O)Nc2cnccc2OCC(F)(F)F)n1)C12CC3CC(CC(C3)C1)C2
• InChI: InChI=1S/C24H28F3N5O2/c1-14(23-9-15-6-16(10-23)8-17(7-15)11-23)30-22-29-5-2-18(32-22)21(33)31-19-12-28-4-3-20(19)34-13-24(25,26)27/h2-5,12,14-17H,6-11,13H2,1H3,(H,31,33)(H,29,30,32)
• InChIKey: IGMGOLKDRMVFSX-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 89.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.52
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-adamantyl)ethylamino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?

The IUPAC name of 2-[1-(1-adamantyl)ethylamino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide (CID 134556726) is 2-[1-(1-adamantyl)ethylamino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide.

What is the SMILES notation for 2-[1-(1-adamantyl)ethylamino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?

The canonical SMILES for 2-[1-(1-adamantyl)ethylamino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide is CC(Nc1nccc(C(=O)Nc2cnccc2OCC(F)(F)F)n1)C12CC3CC(CC(C3)C1)C2.

What is the InChIKey of 2-[1-(1-adamantyl)ethylamino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?

The InChIKey is IGMGOLKDRMVFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O2/c1-14(23-9-15-6-16(10-23)8-17(7-15)11-23)30-22-29-5-2-18(32-22)21(33)31-19-12-28-4-3-20(19)34-13-24(25,26)27/h2-5,12,14-17H,6-11,13H2,1H3,(H,31,33)(H,29,30,32).

What are the key properties of 2-[1-(1-adamantyl)ethylamino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?

2-[1-(1-adamantyl)ethylamino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(1-adamantyl)ethylamino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 134556726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).