[5-fluoro-2-[2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate

C21H16F2N4O3 — CID 122506560

IUPAC[5-fluoro-2-[2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate
SMILESNC(=O)OCc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
InChIInChI=1S/C21H16F2N4O3/c22-15-1-4-18(5-2-15)29-12-17-10-27-9-14(8-25-21(27)26-17)19-6-3-16(23)7-13(19)11-30-20(24)28/h1-10H,11-12H2,(H2,24,28)
InChIKeyAZOQZTIZRIACIC-UHFFFAOYSA-N
MW410.38 g/mol
LogP3.85
Rot. Bonds6

About [5-fluoro-2-[2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate

[5-fluoro-2-[2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate (PubChem CID 122506560) has the molecular formula C21H16F2N4O3 and a molecular weight of 410.38 g/mol. Its IUPAC name is [5-fluoro-2-[2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate.

Molecular Properties

Compound Name[5-fluoro-2-[2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate
PubChem CID122506560
Molecular FormulaC21H16F2N4O3
Molecular Weight410.38 g/mol
Exact Mass410.12
IUPAC Name[5-fluoro-2-[2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate
SMILESNC(=O)OCc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
InChIInChI=1S/C21H16F2N4O3/c22-15-1-4-18(5-2-15)29-12-17-10-27-9-14(8-25-21(27)26-17)19-6-3-16(23)7-13(19)11-30-20(24)28/h1-10H,11-12H2,(H2,24,28)
InChIKeyAZOQZTIZRIACIC-UHFFFAOYSA-N
XLogP3.85
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate?
The IUPAC name of [5-fluoro-2-[2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate (CID 122506560) is [5-fluoro-2-[2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate.
What is the SMILES notation for [5-fluoro-2-[2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate?
The canonical SMILES for [5-fluoro-2-[2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate is NC(=O)OCc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cc3)cn2c1.
What is the InChIKey of [5-fluoro-2-[2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate?
The InChIKey is AZOQZTIZRIACIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O3/c22-15-1-4-18(5-2-15)29-12-17-10-27-9-14(8-25-21(27)26-17)19-6-3-16(23)7-13(19)11-30-20(24)28/h1-10H,11-12H2,(H2,24,28).
What are the key properties of [5-fluoro-2-[2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate?
[5-fluoro-2-[2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate has a molecular weight of 410.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate is sourced from PubChem (CID 122506560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).