N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(morpholin-4-ylmethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine

C20H27N7O — CID 169170249

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(morpholin-4-ylmethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine (PubChem CID 169170249) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(morpholin-4-ylmethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(morpholin-4-ylmethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine
• PubChem CID: 169170249
• Molecular Formula: C20H27N7O
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.23
• IUPAC Name: N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(morpholin-4-ylmethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine
• SMILES: c1cc(Nc2cc(C3CC3)[nH]n2)nc(N2CC3(CN4CCOCC4)CC2C3)n1
• InChI: InChI=1S/C20H27N7O/c1-2-14(1)16-9-18(25-24-16)22-17-3-4-21-19(23-17)27-13-20(10-15(27)11-20)12-26-5-7-28-8-6-26/h3-4,9,14-15H,1-2,5-8,10-13H2,(H2,21,22,23,24,25)
• InChIKey: VTKHHWCAGVMXGK-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 82.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.48
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(morpholin-4-ylmethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine (CID 169170249) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(morpholin-4-ylmethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine.

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

The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(morpholin-4-ylmethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine is c1cc(Nc2cc(C3CC3)[nH]n2)nc(N2CC3(CN4CCOCC4)CC2C3)n1.

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

The InChIKey is VTKHHWCAGVMXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-2-14(1)16-9-18(25-24-16)22-17-3-4-21-19(23-17)27-13-20(10-15(27)11-20)12-26-5-7-28-8-6-26/h3-4,9,14-15H,1-2,5-8,10-13H2,(H2,21,22,23,24,25).

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(morpholin-4-ylmethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine has a molecular weight of 381.48 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(morpholin-4-ylmethyl)-2-azabicyclo[2.1.1]hexan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 169170249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).