7-[(2,3-difluorophenyl)methoxy]-1-methylspiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one

C17H17F2N3O2 — CID 138705585

IUPAC7-[(2,3-difluorophenyl)methoxy]-1-methylspiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one
SMILESCN1c2cc(OCc3cccc(F)c3F)nc(=O)n2CC12CCC2
InChIInChI=1S/C17H17F2N3O2/c1-21-14-8-13(24-9-11-4-2-5-12(18)15(11)19)20-16(23)22(14)10-17(21)6-3-7-17/h2,4-5,8H,3,6-7,9-10H2,1H3
InChIKeyFWFXJINXDFITAT-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.47
Rot. Bonds3

About 7-[(2,3-difluorophenyl)methoxy]-1-methylspiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one

7-[(2,3-difluorophenyl)methoxy]-1-methylspiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one (PubChem CID 138705585) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 7-[(2,3-difluorophenyl)methoxy]-1-methylspiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one.

Molecular Properties

Compound Name7-[(2,3-difluorophenyl)methoxy]-1-methylspiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one
PubChem CID138705585
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name7-[(2,3-difluorophenyl)methoxy]-1-methylspiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one
SMILESCN1c2cc(OCc3cccc(F)c3F)nc(=O)n2CC12CCC2
InChIInChI=1S/C17H17F2N3O2/c1-21-14-8-13(24-9-11-4-2-5-12(18)15(11)19)20-16(23)22(14)10-17(21)6-3-7-17/h2,4-5,8H,3,6-7,9-10H2,1H3
InChIKeyFWFXJINXDFITAT-UHFFFAOYSA-N
XLogP2.47
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,3-difluorophenyl)methoxy]-1-methylspiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one?
The IUPAC name of 7-[(2,3-difluorophenyl)methoxy]-1-methylspiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one (CID 138705585) is 7-[(2,3-difluorophenyl)methoxy]-1-methylspiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one.
What is the SMILES notation for 7-[(2,3-difluorophenyl)methoxy]-1-methylspiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one?
The canonical SMILES for 7-[(2,3-difluorophenyl)methoxy]-1-methylspiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one is CN1c2cc(OCc3cccc(F)c3F)nc(=O)n2CC12CCC2.
What is the InChIKey of 7-[(2,3-difluorophenyl)methoxy]-1-methylspiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one?
The InChIKey is FWFXJINXDFITAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-21-14-8-13(24-9-11-4-2-5-12(18)15(11)19)20-16(23)22(14)10-17(21)6-3-7-17/h2,4-5,8H,3,6-7,9-10H2,1H3.
What are the key properties of 7-[(2,3-difluorophenyl)methoxy]-1-methylspiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one?
7-[(2,3-difluorophenyl)methoxy]-1-methylspiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one has a molecular weight of 333.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,3-difluorophenyl)methoxy]-1-methylspiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one is sourced from PubChem (CID 138705585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).