1-[(2,3-dichlorophenyl)methyl]-6-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one

C17H15Cl2FN4O2 — CID 57403580

IUPAC1-[(2,3-dichlorophenyl)methyl]-6-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1c(F)c(N2CCOCC2)nc2n(Cc3cccc(Cl)c3Cl)ccn12
InChIInChI=1S/C17H15Cl2FN4O2/c18-12-3-1-2-11(13(12)19)10-23-4-5-24-16(25)14(20)15(21-17(23)24)22-6-8-26-9-7-22/h1-5H,6-10H2
InChIKeyUMOMABKQZQXMHW-UHFFFAOYSA-N
MW397.24 g/mol
LogP2.83
Rot. Bonds3

About 1-[(2,3-dichlorophenyl)methyl]-6-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one

1-[(2,3-dichlorophenyl)methyl]-6-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 57403580) has the molecular formula C17H15Cl2FN4O2 and a molecular weight of 397.24 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-6-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-6-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
PubChem CID57403580
Molecular FormulaC17H15Cl2FN4O2
Molecular Weight397.24 g/mol
Exact Mass396.06
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-6-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
SMILESO=c1c(F)c(N2CCOCC2)nc2n(Cc3cccc(Cl)c3Cl)ccn12
InChIInChI=1S/C17H15Cl2FN4O2/c18-12-3-1-2-11(13(12)19)10-23-4-5-24-16(25)14(20)15(21-17(23)24)22-6-8-26-9-7-22/h1-5H,6-10H2
InChIKeyUMOMABKQZQXMHW-UHFFFAOYSA-N
XLogP2.83
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-6-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-6-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one (CID 57403580) is 1-[(2,3-dichlorophenyl)methyl]-6-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-6-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-6-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one is O=c1c(F)c(N2CCOCC2)nc2n(Cc3cccc(Cl)c3Cl)ccn12.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-6-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is UMOMABKQZQXMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN4O2/c18-12-3-1-2-11(13(12)19)10-23-4-5-24-16(25)14(20)15(21-17(23)24)22-6-8-26-9-7-22/h1-5H,6-10H2.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-6-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one?
1-[(2,3-dichlorophenyl)methyl]-6-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 397.24 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-6-fluoro-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 57403580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).