6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide

C18H15F3N6O3 — CID 169005996

About 6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide

6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 169005996) has the molecular formula C18H15F3N6O3 and a molecular weight of 420.35 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
• PubChem CID: 169005996
• Molecular Formula: C18H15F3N6O3
• Molecular Weight: 420.35 g/mol
• Exact Mass: 420.12
• IUPAC Name: 6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
• SMILES: CC1(Oc2nc(C(=O)Nc3ccnc(C(F)(F)F)c3)cc(-n3ccnc3)n2)COC1
• InChI: InChI=1S/C18H15F3N6O3/c1-17(8-29-9-17)30-16-25-12(7-14(26-16)27-5-4-22-10-27)15(28)24-11-2-3-23-13(6-11)18(19,20)21/h2-7,10H,8-9H2,1H3,(H,23,24,28)
• InChIKey: ZAFRQFJKYULFRD-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 104.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.35
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide?

The IUPAC name of 6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide (CID 169005996) is 6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide.

What is the SMILES notation for 6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide?

The canonical SMILES for 6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide is CC1(Oc2nc(C(=O)Nc3ccnc(C(F)(F)F)c3)cc(-n3ccnc3)n2)COC1.

What is the InChIKey of 6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide?

The InChIKey is ZAFRQFJKYULFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O3/c1-17(8-29-9-17)30-16-25-12(7-14(26-16)27-5-4-22-10-27)15(28)24-11-2-3-23-13(6-11)18(19,20)21/h2-7,10H,8-9H2,1H3,(H,23,24,28).

What are the key properties of 6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide?

6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 420.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-imidazol-1-yl-2-(3-methyloxetan-3-yl)oxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 169005996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).