6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one

C18H13FN4O2 — CID 66551179

IUPAC6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1n(-c2ccc(F)cn2)ccc2nc(COc3ccccc3)cn12
InChIInChI=1S/C18H13FN4O2/c19-13-6-7-16(20-10-13)22-9-8-17-21-14(11-23(17)18(22)24)12-25-15-4-2-1-3-5-15/h1-11H,12H2
InChIKeyLKZAAVPPGRYYFJ-UHFFFAOYSA-N
MW336.33 g/mol
LogP2.60
Rot. Bonds4

About 6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one

6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one (PubChem CID 66551179) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
PubChem CID66551179
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1n(-c2ccc(F)cn2)ccc2nc(COc3ccccc3)cn12
InChIInChI=1S/C18H13FN4O2/c19-13-6-7-16(20-10-13)22-9-8-17-21-14(11-23(17)18(22)24)12-25-15-4-2-1-3-5-15/h1-11H,12H2
InChIKeyLKZAAVPPGRYYFJ-UHFFFAOYSA-N
XLogP2.60
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341234
2-(4-Imidazol-1-yl-phenoxymethyl)-pyridine
CID 44341428
5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole
CID 11532065
1-[2-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole
CID 761921
2-[(4-Bromophenoxy)methyl]imidazo[1,2-a]pyridine
CID 781520
2-(4-(2-Methoxyphenyl)piperazin-1-ylmethyl)imidazo(1,2-a)pyridine
CID 6469693
4-[2-(4-Imidazol-1-yl-phenoxy)-ethyl]-piperazine-1-carboxylic acid ethyl ester
CID 10154555
5-(2-Phenoxyethyl)-2-phenyl-5h-imidazo[4,5-c]pyridine
CID 10470968
4-[5-(4-Fluorophenyl)-3-(3-phenoxypropyl)imidazol-4-yl]pyridine
CID 10761882
5-fluoro-2-(pyridin-2-yl)-1-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)-1H-benzo[d]imidazole
CID 11560724
5-fluoro-1-(4-(3-(4-methylpiperazin-1-yl)propoxy)phenyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole
CID 11655227
4-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazol-1-yl)phenoxy)propyl)morpholine
CID 11676381

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one (CID 66551179) is 6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one is O=c1n(-c2ccc(F)cn2)ccc2nc(COc3ccccc3)cn12.
What is the InChIKey of 6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is LKZAAVPPGRYYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c19-13-6-7-16(20-10-13)22-9-8-17-21-14(11-23(17)18(22)24)12-25-15-4-2-1-3-5-15/h1-11H,12H2.
What are the key properties of 6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one?
6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 336.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 66551179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).