1,2,2-trimethyl-7-[(2,4,5-trifluorophenyl)methoxy]-3H-imidazo[1,2-c]pyrimidin-5-one

C16H16F3N3O2 — CID 86728441

IUPAC1,2,2-trimethyl-7-[(2,4,5-trifluorophenyl)methoxy]-3H-imidazo[1,2-c]pyrimidin-5-one
SMILESCN1c2cc(OCc3cc(F)c(F)cc3F)nc(=O)n2CC1(C)C
InChIInChI=1S/C16H16F3N3O2/c1-16(2)8-22-14(21(16)3)6-13(20-15(22)23)24-7-9-4-11(18)12(19)5-10(9)17/h4-6H,7-8H2,1-3H3
InChIKeyFKUZNLKPDTVKSW-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.47
Rot. Bonds3

About 1,2,2-trimethyl-7-[(2,4,5-trifluorophenyl)methoxy]-3H-imidazo[1,2-c]pyrimidin-5-one

1,2,2-trimethyl-7-[(2,4,5-trifluorophenyl)methoxy]-3H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 86728441) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1,2,2-trimethyl-7-[(2,4,5-trifluorophenyl)methoxy]-3H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name1,2,2-trimethyl-7-[(2,4,5-trifluorophenyl)methoxy]-3H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID86728441
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name1,2,2-trimethyl-7-[(2,4,5-trifluorophenyl)methoxy]-3H-imidazo[1,2-c]pyrimidin-5-one
SMILESCN1c2cc(OCc3cc(F)c(F)cc3F)nc(=O)n2CC1(C)C
InChIInChI=1S/C16H16F3N3O2/c1-16(2)8-22-14(21(16)3)6-13(20-15(22)23)24-7-9-4-11(18)12(19)5-10(9)17/h4-6H,7-8H2,1-3H3
InChIKeyFKUZNLKPDTVKSW-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 ≤ 500339.32
LogP ≤ 52.47
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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Related Compounds

1-methyl-7-[(2,4,5-trifluorophenyl)methoxy]spiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one
CID 138705592
7-[[3,5-difluoro-4-[[5-(trifluoromethyl)-3-pyridinyl]methyl]phenyl]methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one
CID 118583092
7-[(2,3-difluorophenyl)methoxy]-1-methylspiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclobutane]-5-one
CID 138705585
7-[(2,3-difluorophenyl)methoxy]-1-methylspiro[3H-imidazo[1,2-c]pyrimidine-2,1'-cyclopentane]-5-one
CID 138705590
3-fluoro-2-[(2-methyl-4-pyridinyl)oxy]-5-[(1,2,2-trimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidin-7-yl)oxymethyl]benzonitrile
CID 118679552
4-[(2,4,5-trifluorophenyl)methoxy]-11-oxa-1,5,7-triazatricyclo[7.4.0.02,7]trideca-2,4-dien-6-one
CID 130226730
8-[(2,3-difluorophenyl)methoxy]-1-methyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one
CID 71236599
(2S)-8-[dideuterio-(2,4,5-trifluorophenyl)methoxy]-1,2-dimethyl-3,4-dihydro-2H-pyrimido[1,2-c]pyrimidin-6-one;sulfane
CID 157349226
(2S)-7-[(3,4-difluorophenyl)methoxy]-1,2-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
CID 86728343
tert-butyl 7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2,2-dimethyl-5-oxo-3H-imidazo[1,2-c]pyrimidine-1-carboxylate
CID 118679585
(9R,12S)-4-[[3,5-difluoro-4-(1-methylpyrazol-4-yl)oxyphenyl]methoxy]-9,12-dimethyl-11-oxa-1,5,7-triazatricyclo[7.4.0.02,7]trideca-2,4-dien-6-one
CID 174039871
7-[(3-amino-5-fluorophenyl)methoxy]-1-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
CID 89399515

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-7-[(2,4,5-trifluorophenyl)methoxy]-3H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 1,2,2-trimethyl-7-[(2,4,5-trifluorophenyl)methoxy]-3H-imidazo[1,2-c]pyrimidin-5-one (CID 86728441) is 1,2,2-trimethyl-7-[(2,4,5-trifluorophenyl)methoxy]-3H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 1,2,2-trimethyl-7-[(2,4,5-trifluorophenyl)methoxy]-3H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 1,2,2-trimethyl-7-[(2,4,5-trifluorophenyl)methoxy]-3H-imidazo[1,2-c]pyrimidin-5-one is CN1c2cc(OCc3cc(F)c(F)cc3F)nc(=O)n2CC1(C)C.
What is the InChIKey of 1,2,2-trimethyl-7-[(2,4,5-trifluorophenyl)methoxy]-3H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is FKUZNLKPDTVKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-16(2)8-22-14(21(16)3)6-13(20-15(22)23)24-7-9-4-11(18)12(19)5-10(9)17/h4-6H,7-8H2,1-3H3.
What are the key properties of 1,2,2-trimethyl-7-[(2,4,5-trifluorophenyl)methoxy]-3H-imidazo[1,2-c]pyrimidin-5-one?
1,2,2-trimethyl-7-[(2,4,5-trifluorophenyl)methoxy]-3H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 339.32 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 1,2,2-trimethyl-7-[(2,4,5-trifluorophenyl)methoxy]-3H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 86728441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).