3-[2-(2-fluorophenoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one

C14H12FN3O2 — CID 154566816

IUPAC3-[2-(2-fluorophenoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1c2[nH]ccc2ncn1CCOc1ccccc1F
InChIInChI=1S/C14H12FN3O2/c15-10-3-1-2-4-12(10)20-8-7-18-9-17-11-5-6-16-13(11)14(18)19/h1-6,9,16H,7-8H2
InChIKeyQBTLBBYLDILMFZ-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.94
Rot. Bonds4

About 3-[2-(2-fluorophenoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one

3-[2-(2-fluorophenoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 154566816) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 3-[2-(2-fluorophenoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-fluorophenoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID154566816
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name3-[2-(2-fluorophenoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1c2[nH]ccc2ncn1CCOc1ccccc1F
InChIInChI=1S/C14H12FN3O2/c15-10-3-1-2-4-12(10)20-8-7-18-9-17-11-5-6-16-13(11)14(18)19/h1-6,9,16H,7-8H2
InChIKeyQBTLBBYLDILMFZ-UHFFFAOYSA-N
XLogP1.94
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 67133301
5-[2-(2-fluorophenoxy)ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 17446572
3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154569316
2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 934440
N-[3-[3-(2-fluorophenoxy)propyl]-4-oxoquinazolin-7-yl]-2-hydroxyacetamide
CID 67361570
6-chloro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one
CID 8536647
3-[2-(2,5-dichlorophenoxy)ethyl]quinazolin-4-one
CID 973494
2-(4-oxoquinazolin-3-yl)ethyl 2-fluorobenzoate
CID 30337827
benzyl N-[3-[3-(2-fluorophenoxy)propyl]-4-oxoquinazolin-6-yl]carbamate
CID 46208552
7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 40895606
3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 3584642
1-[2-(2-iodophenoxy)ethyl]pyridin-2-one
CID 78917316

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(2-fluorophenoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one (CID 154566816) is 3-[2-(2-fluorophenoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-fluorophenoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2-fluorophenoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one is O=c1c2[nH]ccc2ncn1CCOc1ccccc1F.
What is the InChIKey of 3-[2-(2-fluorophenoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is QBTLBBYLDILMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c15-10-3-1-2-4-12(10)20-8-7-18-9-17-11-5-6-16-13(11)14(18)19/h1-6,9,16H,7-8H2.
What are the key properties of 3-[2-(2-fluorophenoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one?
3-[2-(2-fluorophenoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 273.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 154566816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).