4-[4-(2-fluorophenyl)-5-(4-methyl-1,3-dioxetan-2-yl)pyrimidin-2-yl]morpholine

C17H18FN3O3 — CID 70326545

IUPAC4-[4-(2-fluorophenyl)-5-(4-methyl-1,3-dioxetan-2-yl)pyrimidin-2-yl]morpholine
SMILESCC1OC(c2cnc(N3CCOCC3)nc2-c2ccccc2F)O1
InChIInChI=1S/C17H18FN3O3/c1-11-23-16(24-11)13-10-19-17(21-6-8-22-9-7-21)20-15(13)12-4-2-3-5-14(12)18/h2-5,10-11,16H,6-9H2,1H3
InChIKeyZSPQYZNMRXAOBN-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.51
Rot. Bonds3

About 4-[4-(2-fluorophenyl)-5-(4-methyl-1,3-dioxetan-2-yl)pyrimidin-2-yl]morpholine

4-[4-(2-fluorophenyl)-5-(4-methyl-1,3-dioxetan-2-yl)pyrimidin-2-yl]morpholine (PubChem CID 70326545) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)-5-(4-methyl-1,3-dioxetan-2-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)-5-(4-methyl-1,3-dioxetan-2-yl)pyrimidin-2-yl]morpholine
PubChem CID70326545
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name4-[4-(2-fluorophenyl)-5-(4-methyl-1,3-dioxetan-2-yl)pyrimidin-2-yl]morpholine
SMILESCC1OC(c2cnc(N3CCOCC3)nc2-c2ccccc2F)O1
InChIInChI=1S/C17H18FN3O3/c1-11-23-16(24-11)13-10-19-17(21-6-8-22-9-7-21)20-15(13)12-4-2-3-5-14(12)18/h2-5,10-11,16H,6-9H2,1H3
InChIKeyZSPQYZNMRXAOBN-UHFFFAOYSA-N
XLogP2.51
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)-5-(4-methyl-1,3-dioxetan-2-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-fluorophenyl)-5-(4-methyl-1,3-dioxetan-2-yl)pyrimidin-2-yl]morpholine (CID 70326545) is 4-[4-(2-fluorophenyl)-5-(4-methyl-1,3-dioxetan-2-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-fluorophenyl)-5-(4-methyl-1,3-dioxetan-2-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-fluorophenyl)-5-(4-methyl-1,3-dioxetan-2-yl)pyrimidin-2-yl]morpholine is CC1OC(c2cnc(N3CCOCC3)nc2-c2ccccc2F)O1.
What is the InChIKey of 4-[4-(2-fluorophenyl)-5-(4-methyl-1,3-dioxetan-2-yl)pyrimidin-2-yl]morpholine?
The InChIKey is ZSPQYZNMRXAOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-11-23-16(24-11)13-10-19-17(21-6-8-22-9-7-21)20-15(13)12-4-2-3-5-14(12)18/h2-5,10-11,16H,6-9H2,1H3.
What are the key properties of 4-[4-(2-fluorophenyl)-5-(4-methyl-1,3-dioxetan-2-yl)pyrimidin-2-yl]morpholine?
4-[4-(2-fluorophenyl)-5-(4-methyl-1,3-dioxetan-2-yl)pyrimidin-2-yl]morpholine has a molecular weight of 331.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)-5-(4-methyl-1,3-dioxetan-2-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 70326545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).