(2R)-1,1,1-trifluoro-2-[3-[2-[1-(methylamino)pentan-2-ylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol

C19H24F3N7O — CID 170769578

About (2R)-1,1,1-trifluoro-2-[3-[2-[1-(methylamino)pentan-2-ylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol

(2R)-1,1,1-trifluoro-2-[3-[2-[1-(methylamino)pentan-2-ylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol (PubChem CID 170769578) has the molecular formula C19H24F3N7O and a molecular weight of 423.44 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-2-[3-[2-[1-(methylamino)pentan-2-ylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1,1,1-trifluoro-2-[3-[2-[1-(methylamino)pentan-2-ylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol
• PubChem CID: 170769578
• Molecular Formula: C19H24F3N7O
• Molecular Weight: 423.44 g/mol
• Exact Mass: 423.20
• IUPAC Name: (2R)-1,1,1-trifluoro-2-[3-[2-[1-(methylamino)pentan-2-ylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol
• SMILES: CCCC(CNC)Nc1nccc(-c2cnc3cnc([C@@](C)(O)C(F)(F)F)cn23)n1
• InChI: InChI=1S/C19H24F3N7O/c1-4-5-12(8-23-3)27-17-24-7-6-13(28-17)14-9-26-16-10-25-15(11-29(14)16)18(2,30)19(20,21)22/h6-7,9-12,23,30H,4-5,8H2,1-3H3,(H,24,27,28)/t12?,18-/m1/s1
• InChIKey: WQGWHMQILCIPIA-VMHBGOFLSA-N
• XLogP: 2.76
• TPSA: 100.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.44
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-2-[3-[2-[1-(methylamino)pentan-2-ylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol?

The IUPAC name of (2R)-1,1,1-trifluoro-2-[3-[2-[1-(methylamino)pentan-2-ylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol (CID 170769578) is (2R)-1,1,1-trifluoro-2-[3-[2-[1-(methylamino)pentan-2-ylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol.

What is the SMILES notation for (2R)-1,1,1-trifluoro-2-[3-[2-[1-(methylamino)pentan-2-ylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol?

The canonical SMILES for (2R)-1,1,1-trifluoro-2-[3-[2-[1-(methylamino)pentan-2-ylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol is CCCC(CNC)Nc1nccc(-c2cnc3cnc([C@@](C)(O)C(F)(F)F)cn23)n1.

What is the InChIKey of (2R)-1,1,1-trifluoro-2-[3-[2-[1-(methylamino)pentan-2-ylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol?

The InChIKey is WQGWHMQILCIPIA-VMHBGOFLSA-N. The full InChI is InChI=1S/C19H24F3N7O/c1-4-5-12(8-23-3)27-17-24-7-6-13(28-17)14-9-26-16-10-25-15(11-29(14)16)18(2,30)19(20,21)22/h6-7,9-12,23,30H,4-5,8H2,1-3H3,(H,24,27,28)/t12?,18-/m1/s1.

What are the key properties of (2R)-1,1,1-trifluoro-2-[3-[2-[1-(methylamino)pentan-2-ylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol?

(2R)-1,1,1-trifluoro-2-[3-[2-[1-(methylamino)pentan-2-ylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol has a molecular weight of 423.44 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1,1,1-trifluoro-2-[3-[2-[1-(methylamino)pentan-2-ylamino]pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol is sourced from PubChem (CID 170769578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).