7-chloro-6-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-a]pyrimidin-5-amine

C20H21ClF5N5O — CID 11518566

About 7-chloro-6-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-a]pyrimidin-5-amine

7-chloro-6-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-a]pyrimidin-5-amine (PubChem CID 11518566) has the molecular formula C20H21ClF5N5O and a molecular weight of 477.87 g/mol. Its IUPAC name is 7-chloro-6-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-a]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 7-chloro-6-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-a]pyrimidin-5-amine
• PubChem CID: 11518566
• Molecular Formula: C20H21ClF5N5O
• Molecular Weight: 477.87 g/mol
• Exact Mass: 477.14
• IUPAC Name: 7-chloro-6-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-a]pyrimidin-5-amine
• SMILES: C[C@@H](Nc1c(-c2c(F)cc(OCCCN(C)C)cc2F)c(Cl)nc2nccn12)C(F)(F)F
• InChI: InChI=1S/C20H21ClF5N5O/c1-11(20(24,25)26)28-18-16(17(21)29-19-27-5-7-31(18)19)15-13(22)9-12(10-14(15)23)32-8-4-6-30(2)3/h5,7,9-11,28H,4,6,8H2,1-3H3/t11-/m1/s1
• InChIKey: GBQJEIAOWXKFIB-LLVKDONJSA-N
• XLogP: 5.02
• TPSA: 54.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.87
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-a]pyrimidin-5-amine?

The IUPAC name of 7-chloro-6-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-a]pyrimidin-5-amine (CID 11518566) is 7-chloro-6-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-a]pyrimidin-5-amine.

What is the SMILES notation for 7-chloro-6-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-a]pyrimidin-5-amine?

The canonical SMILES for 7-chloro-6-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-a]pyrimidin-5-amine is C[C@@H](Nc1c(-c2c(F)cc(OCCCN(C)C)cc2F)c(Cl)nc2nccn12)C(F)(F)F.

What is the InChIKey of 7-chloro-6-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-a]pyrimidin-5-amine?

The InChIKey is GBQJEIAOWXKFIB-LLVKDONJSA-N. The full InChI is InChI=1S/C20H21ClF5N5O/c1-11(20(24,25)26)28-18-16(17(21)29-19-27-5-7-31(18)19)15-13(22)9-12(10-14(15)23)32-8-4-6-30(2)3/h5,7,9-11,28H,4,6,8H2,1-3H3/t11-/m1/s1.

What are the key properties of 7-chloro-6-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-a]pyrimidin-5-amine?

7-chloro-6-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-a]pyrimidin-5-amine has a molecular weight of 477.87 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-6-[4-[3-(dimethylamino)propoxy]-2,6-difluorophenyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,2-a]pyrimidin-5-amine is sourced from PubChem (CID 11518566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).