1-methyl-7-[(2,4,5-trifluorophenyl)methoxy]spiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one

C17H16F3N3O2 — CID 138705592

IUPAC1-methyl-7-[(2,4,5-trifluorophenyl)methoxy]spiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one
SMILESCN1c2cc(OCc3cc(F)c(F)cc3F)nc(=O)n2CC12CCC2
InChIInChI=1S/C17H16F3N3O2/c1-22-15-7-14(21-16(24)23(15)9-17(22)3-2-4-17)25-8-10-5-12(19)13(20)6-11(10)18/h5-7H,2-4,8-9H2,1H3
InChIKeyGOEFEKHEQOFDGR-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.61
Rot. Bonds3

About 1-methyl-7-[(2,4,5-trifluorophenyl)methoxy]spiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one

1-methyl-7-[(2,4,5-trifluorophenyl)methoxy]spiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one (PubChem CID 138705592) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 1-methyl-7-[(2,4,5-trifluorophenyl)methoxy]spiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one.

Molecular Properties

Compound Name1-methyl-7-[(2,4,5-trifluorophenyl)methoxy]spiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one
PubChem CID138705592
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name1-methyl-7-[(2,4,5-trifluorophenyl)methoxy]spiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one
SMILESCN1c2cc(OCc3cc(F)c(F)cc3F)nc(=O)n2CC12CCC2
InChIInChI=1S/C17H16F3N3O2/c1-22-15-7-14(21-16(24)23(15)9-17(22)3-2-4-17)25-8-10-5-12(19)13(20)6-11(10)18/h5-7H,2-4,8-9H2,1H3
InChIKeyGOEFEKHEQOFDGR-UHFFFAOYSA-N
XLogP2.61
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[(2,4,5-trifluorophenyl)methoxy]spiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one?
The IUPAC name of 1-methyl-7-[(2,4,5-trifluorophenyl)methoxy]spiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one (CID 138705592) is 1-methyl-7-[(2,4,5-trifluorophenyl)methoxy]spiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one.
What is the SMILES notation for 1-methyl-7-[(2,4,5-trifluorophenyl)methoxy]spiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one?
The canonical SMILES for 1-methyl-7-[(2,4,5-trifluorophenyl)methoxy]spiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one is CN1c2cc(OCc3cc(F)c(F)cc3F)nc(=O)n2CC12CCC2.
What is the InChIKey of 1-methyl-7-[(2,4,5-trifluorophenyl)methoxy]spiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one?
The InChIKey is GOEFEKHEQOFDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-22-15-7-14(21-16(24)23(15)9-17(22)3-2-4-17)25-8-10-5-12(19)13(20)6-11(10)18/h5-7H,2-4,8-9H2,1H3.
What are the key properties of 1-methyl-7-[(2,4,5-trifluorophenyl)methoxy]spiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one?
1-methyl-7-[(2,4,5-trifluorophenyl)methoxy]spiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one has a molecular weight of 351.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[(2,4,5-trifluorophenyl)methoxy]spiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one is sourced from PubChem (CID 138705592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).