2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide

C20H19N5O2 — CID 95119426

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide (PubChem CID 95119426) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide
• PubChem CID: 95119426
• Molecular Formula: C20H19N5O2
• Molecular Weight: 361.41 g/mol
• Exact Mass: 361.15
• IUPAC Name: 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide
• SMILES: Cc1cc(C)n2nc(CC(=O)N[C@@H](c3ccccc3)c3ccco3)nc2n1
• InChI: InChI=1S/C20H19N5O2/c1-13-11-14(2)25-20(21-13)22-17(24-25)12-18(26)23-19(16-9-6-10-27-16)15-7-4-3-5-8-15/h3-11,19H,12H2,1-2H3,(H,23,26)/t19-/m0/s1
• InChIKey: DLBRHOAPEMNJFT-IBGZPJMESA-N
• XLogP: 2.78
• TPSA: 85.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.41
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide?

The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide (CID 95119426) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide.

What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide?

The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide is Cc1cc(C)n2nc(CC(=O)N[C@@H](c3ccccc3)c3ccco3)nc2n1.

What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide?

The InChIKey is DLBRHOAPEMNJFT-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-11-14(2)25-20(21-13)22-17(24-25)12-18(26)23-19(16-9-6-10-27-16)15-7-4-3-5-8-15/h3-11,19H,12H2,1-2H3,(H,23,26)/t19-/m0/s1.

What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide?

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide has a molecular weight of 361.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide is sourced from PubChem (CID 95119426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).