4-N-cyclopropyl-6-N-[[4-(2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-5-fluoro-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine

C23H27F4N7O — CID 156519636

About 4-N-cyclopropyl-6-N-[[4-(2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-5-fluoro-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-[[4-(2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-5-fluoro-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine (PubChem CID 156519636) has the molecular formula C23H27F4N7O and a molecular weight of 493.51 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-[[4-(2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-5-fluoro-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 4-N-cyclopropyl-6-N-[[4-(2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-5-fluoro-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine
• PubChem CID: 156519636
• Molecular Formula: C23H27F4N7O
• Molecular Weight: 493.51 g/mol
• Exact Mass: 493.22
• IUPAC Name: 4-N-cyclopropyl-6-N-[[4-(2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-5-fluoro-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine
• SMILES: Fc1c(NCC2(C3=NCON3)CCNCC2)ncnc1N(Cc1ccc(C(F)(F)F)cc1)C1CC1
• InChI: InChI=1S/C23H27F4N7O/c24-18-19(29-12-22(7-9-28-10-8-22)21-32-14-35-33-21)30-13-31-20(18)34(17-5-6-17)11-15-1-3-16(4-2-15)23(25,26)27/h1-4,13,17,28H,5-12,14H2,(H,32,33)(H,29,30,31)
• InChIKey: CUJZMBXDBGRFHO-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 86.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.51
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-[[4-(2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-5-fluoro-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine?

The IUPAC name of 4-N-cyclopropyl-6-N-[[4-(2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-5-fluoro-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine (CID 156519636) is 4-N-cyclopropyl-6-N-[[4-(2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-5-fluoro-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine.

What is the SMILES notation for 4-N-cyclopropyl-6-N-[[4-(2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-5-fluoro-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine?

The canonical SMILES for 4-N-cyclopropyl-6-N-[[4-(2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-5-fluoro-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine is Fc1c(NCC2(C3=NCON3)CCNCC2)ncnc1N(Cc1ccc(C(F)(F)F)cc1)C1CC1.

What is the InChIKey of 4-N-cyclopropyl-6-N-[[4-(2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-5-fluoro-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine?

The InChIKey is CUJZMBXDBGRFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F4N7O/c24-18-19(29-12-22(7-9-28-10-8-22)21-32-14-35-33-21)30-13-31-20(18)34(17-5-6-17)11-15-1-3-16(4-2-15)23(25,26)27/h1-4,13,17,28H,5-12,14H2,(H,32,33)(H,29,30,31).

What are the key properties of 4-N-cyclopropyl-6-N-[[4-(2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-5-fluoro-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine?

4-N-cyclopropyl-6-N-[[4-(2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-5-fluoro-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine has a molecular weight of 493.51 g/mol, XLogP of 3.48, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-cyclopropyl-6-N-[[4-(2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl]-5-fluoro-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 156519636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).