1-[2-[4-[2-(5-cyclopropyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-yl]-2-azabicyclo[2.1.1]hexan-4-yl]-N-methylmethanamine

C20H28N6 — CID 176763146

About 1-[2-[4-[2-(5-cyclopropyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-yl]-2-azabicyclo[2.1.1]hexan-4-yl]-N-methylmethanamine

1-[2-[4-[2-(5-cyclopropyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-yl]-2-azabicyclo[2.1.1]hexan-4-yl]-N-methylmethanamine (PubChem CID 176763146) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 1-[2-[4-[2-(5-cyclopropyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-yl]-2-azabicyclo[2.1.1]hexan-4-yl]-N-methylmethanamine.

Molecular Properties

• Compound Name: 1-[2-[4-[2-(5-cyclopropyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-yl]-2-azabicyclo[2.1.1]hexan-4-yl]-N-methylmethanamine
• PubChem CID: 176763146
• Molecular Formula: C20H28N6
• Molecular Weight: 352.49 g/mol
• Exact Mass: 352.24
• IUPAC Name: 1-[2-[4-[2-(5-cyclopropyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-yl]-2-azabicyclo[2.1.1]hexan-4-yl]-N-methylmethanamine
• SMILES: CNCC12CC(C1)N(c1nccc(C(C)(C)c3cc(C4CC4)[nH]n3)n1)C2
• InChI: InChI=1S/C20H28N6/c1-19(2,17-8-15(24-25-17)13-4-5-13)16-6-7-22-18(23-16)26-12-20(11-21-3)9-14(26)10-20/h6-8,13-14,21H,4-5,9-12H2,1-3H3,(H,24,25)
• InChIKey: JFLUVFQTYRKZIG-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 69.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.49
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(5-cyclopropyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-yl]-2-azabicyclo[2.1.1]hexan-4-yl]-N-methylmethanamine?

The IUPAC name of 1-[2-[4-[2-(5-cyclopropyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-yl]-2-azabicyclo[2.1.1]hexan-4-yl]-N-methylmethanamine (CID 176763146) is 1-[2-[4-[2-(5-cyclopropyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-yl]-2-azabicyclo[2.1.1]hexan-4-yl]-N-methylmethanamine.

What is the SMILES notation for 1-[2-[4-[2-(5-cyclopropyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-yl]-2-azabicyclo[2.1.1]hexan-4-yl]-N-methylmethanamine?

The canonical SMILES for 1-[2-[4-[2-(5-cyclopropyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-yl]-2-azabicyclo[2.1.1]hexan-4-yl]-N-methylmethanamine is CNCC12CC(C1)N(c1nccc(C(C)(C)c3cc(C4CC4)[nH]n3)n1)C2.

What is the InChIKey of 1-[2-[4-[2-(5-cyclopropyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-yl]-2-azabicyclo[2.1.1]hexan-4-yl]-N-methylmethanamine?

The InChIKey is JFLUVFQTYRKZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-19(2,17-8-15(24-25-17)13-4-5-13)16-6-7-22-18(23-16)26-12-20(11-21-3)9-14(26)10-20/h6-8,13-14,21H,4-5,9-12H2,1-3H3,(H,24,25).

What are the key properties of 1-[2-[4-[2-(5-cyclopropyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-yl]-2-azabicyclo[2.1.1]hexan-4-yl]-N-methylmethanamine?

1-[2-[4-[2-(5-cyclopropyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-yl]-2-azabicyclo[2.1.1]hexan-4-yl]-N-methylmethanamine has a molecular weight of 352.49 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[2-(5-cyclopropyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-yl]-2-azabicyclo[2.1.1]hexan-4-yl]-N-methylmethanamine is sourced from PubChem (CID 176763146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).