2-[2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]phenol

C18H13FN4O2 — CID 122506614

IUPAC2-[2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]phenol
SMILESOc1ccccc1-c1cnc2nc(COc3ccnc(F)c3)cn2c1
InChIInChI=1S/C18H13FN4O2/c19-17-7-14(5-6-20-17)25-11-13-10-23-9-12(8-21-18(23)22-13)15-3-1-2-4-16(15)24/h1-10,24H,11H2
InChIKeyOMERUYGJUNCTHR-UHFFFAOYSA-N
MW336.33 g/mol
LogP3.21
Rot. Bonds4

About 2-[2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]phenol

2-[2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]phenol (PubChem CID 122506614) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 2-[2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]phenol.

Molecular Properties

Compound Name2-[2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]phenol
PubChem CID122506614
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name2-[2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]phenol
SMILESOc1ccccc1-c1cnc2nc(COc3ccnc(F)c3)cn2c1
InChIInChI=1S/C18H13FN4O2/c19-17-7-14(5-6-20-17)25-11-13-10-23-9-12(8-21-18(23)22-13)15-3-1-2-4-16(15)24/h1-10,24H,11H2
InChIKeyOMERUYGJUNCTHR-UHFFFAOYSA-N
XLogP3.21
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]phenol?
The IUPAC name of 2-[2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]phenol (CID 122506614) is 2-[2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]phenol.
What is the SMILES notation for 2-[2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]phenol?
The canonical SMILES for 2-[2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]phenol is Oc1ccccc1-c1cnc2nc(COc3ccnc(F)c3)cn2c1.
What is the InChIKey of 2-[2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]phenol?
The InChIKey is OMERUYGJUNCTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c19-17-7-14(5-6-20-17)25-11-13-10-23-9-12(8-21-18(23)22-13)15-3-1-2-4-16(15)24/h1-10,24H,11H2.
What are the key properties of 2-[2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]phenol?
2-[2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]phenol has a molecular weight of 336.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidin-6-yl]phenol is sourced from PubChem (CID 122506614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).