N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

C21H28N6O — CID 119525595

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 119525595) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
• PubChem CID: 119525595
• Molecular Formula: C21H28N6O
• Molecular Weight: 380.50 g/mol
• Exact Mass: 380.23
• IUPAC Name: N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
• SMILES: Cc1nc2ncnn2c(C)c1CCC(=O)NCC(N)c1ccc(C(C)C)cc1
• InChI: InChI=1S/C21H28N6O/c1-13(2)16-5-7-17(8-6-16)19(22)11-23-20(28)10-9-18-14(3)26-21-24-12-25-27(21)15(18)4/h5-8,12-13,19H,9-11,22H2,1-4H3,(H,23,28)
• InChIKey: DGQJLZXKBZFWCW-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 98.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.50
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?

The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 119525595) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?

The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)NCC(N)c1ccc(C(C)C)cc1.

What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?

The InChIKey is DGQJLZXKBZFWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-13(2)16-5-7-17(8-6-16)19(22)11-23-20(28)10-9-18-14(3)26-21-24-12-25-27(21)15(18)4/h5-8,12-13,19H,9-11,22H2,1-4H3,(H,23,28).

What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 380.50 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 119525595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).