6-methyl-4-[(1-methylcyclopropyl)amino]-N-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]furo[2,3-d]pyrimidine-5-carboxamide

C16H17F3N6O3 — CID 166763354

About 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]furo[2,3-d]pyrimidine-5-carboxamide

6-methyl-4-[(1-methylcyclopropyl)amino]-N-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 166763354) has the molecular formula C16H17F3N6O3 and a molecular weight of 398.35 g/mol. Its IUPAC name is 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]furo[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 166763354
• Molecular Formula: C16H17F3N6O3
• Molecular Weight: 398.35 g/mol
• Exact Mass: 398.13
• IUPAC Name: 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]furo[2,3-d]pyrimidine-5-carboxamide
• SMILES: Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCC1=NC(C(F)(F)F)ON1
• InChI: InChI=1S/C16H17F3N6O3/c1-7-9(12(26)20-5-8-23-14(28-25-8)16(17,18)19)10-11(24-15(2)3-4-15)21-6-22-13(10)27-7/h6,14H,3-5H2,1-2H3,(H,20,26)(H,23,25)(H,21,22,24)
• InChIKey: VHJLRDVAKSXWFX-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 113.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.35
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]furo[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]furo[2,3-d]pyrimidine-5-carboxamide (CID 166763354) is 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]furo[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]furo[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCC1=NC(C(F)(F)F)ON1.

What is the InChIKey of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]furo[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is VHJLRDVAKSXWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6O3/c1-7-9(12(26)20-5-8-23-14(28-25-8)16(17,18)19)10-11(24-15(2)3-4-15)21-6-22-13(10)27-7/h6,14H,3-5H2,1-2H3,(H,20,26)(H,23,25)(H,21,22,24).

What are the key properties of 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]furo[2,3-d]pyrimidine-5-carboxamide?

6-methyl-4-[(1-methylcyclopropyl)amino]-N-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 398.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-4-[(1-methylcyclopropyl)amino]-N-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 166763354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).