6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrimidin-4-amine

C26H26F3N9 — CID 167058274

About 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrimidin-4-amine

6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrimidin-4-amine (PubChem CID 167058274) has the molecular formula C26H26F3N9 and a molecular weight of 521.55 g/mol. Its IUPAC name is 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrimidin-4-amine
• PubChem CID: 167058274
• Molecular Formula: C26H26F3N9
• Molecular Weight: 521.55 g/mol
• Exact Mass: 521.23
• IUPAC Name: 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrimidin-4-amine
• SMILES: Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(C(F)(F)F)cn3)nc2)n1
• InChI: InChI=1S/C26H26F3N9/c1-15-7-22(33-23-8-16(2)35-36-23)34-25(32-15)17-3-6-24(31-10-17)37-13-20-9-21(14-37)38(20)12-19-5-4-18(11-30-19)26(27,28)29/h3-8,10-11,20-21H,9,12-14H2,1-2H3,(H2,32,33,34,35,36)
• InChIKey: ZYKUETYWBRZPAB-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 98.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.55
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrimidin-4-amine?

The IUPAC name of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrimidin-4-amine (CID 167058274) is 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrimidin-4-amine.

What is the SMILES notation for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrimidin-4-amine?

The canonical SMILES for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrimidin-4-amine is Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(C(F)(F)F)cn3)nc2)n1.

What is the InChIKey of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrimidin-4-amine?

The InChIKey is ZYKUETYWBRZPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N9/c1-15-7-22(33-23-8-16(2)35-36-23)34-25(32-15)17-3-6-24(31-10-17)37-13-20-9-21(14-37)38(20)12-19-5-4-18(11-30-19)26(27,28)29/h3-8,10-11,20-21H,9,12-14H2,1-2H3,(H2,32,33,34,35,36).

What are the key properties of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrimidin-4-amine?

6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 521.55 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[6-[6-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 167058274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).