7-[(2,3-difluorophenyl)methoxy]-1-ethyl-2,2-dimethyl-3H-imidazo[1,2-c]pyrimidin-5-one

C17H19F2N3O2 — CID 86728404

IUPAC7-[(2,3-difluorophenyl)methoxy]-1-ethyl-2,2-dimethyl-3H-imidazo[1,2-c]pyrimidin-5-one
SMILESCCN1c2cc(OCc3cccc(F)c3F)nc(=O)n2CC1(C)C
InChIInChI=1S/C17H19F2N3O2/c1-4-22-14-8-13(20-16(23)21(14)10-17(22,2)3)24-9-11-6-5-7-12(18)15(11)19/h5-8H,4,9-10H2,1-3H3
InChIKeyCNVPOPDBXBTSNQ-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.72
Rot. Bonds4

About 7-[(2,3-difluorophenyl)methoxy]-1-ethyl-2,2-dimethyl-3H-imidazo[1,2-c]pyrimidin-5-one

7-[(2,3-difluorophenyl)methoxy]-1-ethyl-2,2-dimethyl-3H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 86728404) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is 7-[(2,3-difluorophenyl)methoxy]-1-ethyl-2,2-dimethyl-3H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(2,3-difluorophenyl)methoxy]-1-ethyl-2,2-dimethyl-3H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID86728404
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name7-[(2,3-difluorophenyl)methoxy]-1-ethyl-2,2-dimethyl-3H-imidazo[1,2-c]pyrimidin-5-one
SMILESCCN1c2cc(OCc3cccc(F)c3F)nc(=O)n2CC1(C)C
InChIInChI=1S/C17H19F2N3O2/c1-4-22-14-8-13(20-16(23)21(14)10-17(22,2)3)24-9-11-6-5-7-12(18)15(11)19/h5-8H,4,9-10H2,1-3H3
InChIKeyCNVPOPDBXBTSNQ-UHFFFAOYSA-N
XLogP2.72
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.72
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-ethyl-2,2-dimethyl-3H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 7-[(2,3-difluorophenyl)methoxy]-1-ethyl-2,2-dimethyl-3H-imidazo[1,2-c]pyrimidin-5-one (CID 86728404) is 7-[(2,3-difluorophenyl)methoxy]-1-ethyl-2,2-dimethyl-3H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 7-[(2,3-difluorophenyl)methoxy]-1-ethyl-2,2-dimethyl-3H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 7-[(2,3-difluorophenyl)methoxy]-1-ethyl-2,2-dimethyl-3H-imidazo[1,2-c]pyrimidin-5-one is CCN1c2cc(OCc3cccc(F)c3F)nc(=O)n2CC1(C)C.
What is the InChIKey of 7-[(2,3-difluorophenyl)methoxy]-1-ethyl-2,2-dimethyl-3H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is CNVPOPDBXBTSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-4-22-14-8-13(20-16(23)21(14)10-17(22,2)3)24-9-11-6-5-7-12(18)15(11)19/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 7-[(2,3-difluorophenyl)methoxy]-1-ethyl-2,2-dimethyl-3H-imidazo[1,2-c]pyrimidin-5-one?
7-[(2,3-difluorophenyl)methoxy]-1-ethyl-2,2-dimethyl-3H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 335.35 g/mol, XLogP of 2.72, 4 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-ethyl-2,2-dimethyl-3H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 86728404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).