4-[(3-fluorooxetan-3-yl)methoxy]-2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine

C20H15F4N3O3 — CID 127041988

IUPAC4-[(3-fluorooxetan-3-yl)methoxy]-2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine
SMILESFc1ccc(OCc2cc(OCC3(F)COC3)nc(-c3ccccn3)n2)c(F)c1F
InChIInChI=1S/C20H15F4N3O3/c21-13-4-5-15(18(23)17(13)22)29-8-12-7-16(30-11-20(24)9-28-10-20)27-19(26-12)14-3-1-2-6-25-14/h1-7H,8-11H2
InChIKeyWIDRMOABSDIADZ-UHFFFAOYSA-N
MW421.35 g/mol
LogP3.65
Rot. Bonds7

About 4-[(3-fluorooxetan-3-yl)methoxy]-2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine

4-[(3-fluorooxetan-3-yl)methoxy]-2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine (PubChem CID 127041988) has the molecular formula C20H15F4N3O3 and a molecular weight of 421.35 g/mol. Its IUPAC name is 4-[(3-fluorooxetan-3-yl)methoxy]-2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine.

Molecular Properties

Compound Name4-[(3-fluorooxetan-3-yl)methoxy]-2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine
PubChem CID127041988
Molecular FormulaC20H15F4N3O3
Molecular Weight421.35 g/mol
Exact Mass421.10
IUPAC Name4-[(3-fluorooxetan-3-yl)methoxy]-2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine
SMILESFc1ccc(OCc2cc(OCC3(F)COC3)nc(-c3ccccn3)n2)c(F)c1F
InChIInChI=1S/C20H15F4N3O3/c21-13-4-5-15(18(23)17(13)22)29-8-12-7-16(30-11-20(24)9-28-10-20)27-19(26-12)14-3-1-2-6-25-14/h1-7H,8-11H2
InChIKeyWIDRMOABSDIADZ-UHFFFAOYSA-N
XLogP3.65
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorooxetan-3-yl)methoxy]-2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine?
The IUPAC name of 4-[(3-fluorooxetan-3-yl)methoxy]-2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine (CID 127041988) is 4-[(3-fluorooxetan-3-yl)methoxy]-2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine.
What is the SMILES notation for 4-[(3-fluorooxetan-3-yl)methoxy]-2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine?
The canonical SMILES for 4-[(3-fluorooxetan-3-yl)methoxy]-2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine is Fc1ccc(OCc2cc(OCC3(F)COC3)nc(-c3ccccn3)n2)c(F)c1F.
What is the InChIKey of 4-[(3-fluorooxetan-3-yl)methoxy]-2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine?
The InChIKey is WIDRMOABSDIADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O3/c21-13-4-5-15(18(23)17(13)22)29-8-12-7-16(30-11-20(24)9-28-10-20)27-19(26-12)14-3-1-2-6-25-14/h1-7H,8-11H2.
What are the key properties of 4-[(3-fluorooxetan-3-yl)methoxy]-2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine?
4-[(3-fluorooxetan-3-yl)methoxy]-2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine has a molecular weight of 421.35 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorooxetan-3-yl)methoxy]-2-pyridin-2-yl-6-[(2,3,4-trifluorophenoxy)methyl]pyrimidine is sourced from PubChem (CID 127041988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).