5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine

C15H16F2N2O4S — CID 58061837

IUPAC5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCC(C)(C)Oc1ncnc(Oc2ccc(S(C)(=O)=O)cc2F)c1F
InChIInChI=1S/C15H16F2N2O4S/c1-15(2,3)23-14-12(17)13(18-8-19-14)22-11-6-5-9(7-10(11)16)24(4,20)21/h5-8H,1-4H3
InChIKeyVRFZYYHTPRMLCA-UHFFFAOYSA-N
MW358.37 g/mol
LogP3.13
Rot. Bonds4

About 5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine

5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine (PubChem CID 58061837) has the molecular formula C15H16F2N2O4S and a molecular weight of 358.37 g/mol. Its IUPAC name is 5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine
PubChem CID58061837
Molecular FormulaC15H16F2N2O4S
Molecular Weight358.37 g/mol
Exact Mass358.08
IUPAC Name5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCC(C)(C)Oc1ncnc(Oc2ccc(S(C)(=O)=O)cc2F)c1F
InChIInChI=1S/C15H16F2N2O4S/c1-15(2,3)23-14-12(17)13(18-8-19-14)22-11-6-5-9(7-10(11)16)24(4,20)21/h5-8H,1-4H3
InChIKeyVRFZYYHTPRMLCA-UHFFFAOYSA-N
XLogP3.13
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine?
The IUPAC name of 5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine (CID 58061837) is 5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine.
What is the SMILES notation for 5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine?
The canonical SMILES for 5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine is CC(C)(C)Oc1ncnc(Oc2ccc(S(C)(=O)=O)cc2F)c1F.
What is the InChIKey of 5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine?
The InChIKey is VRFZYYHTPRMLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O4S/c1-15(2,3)23-14-12(17)13(18-8-19-14)22-11-6-5-9(7-10(11)16)24(4,20)21/h5-8H,1-4H3.
What are the key properties of 5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine?
5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine has a molecular weight of 358.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(2-fluoro-4-methylsulfonylphenoxy)-6-[(2-methylpropan-2-yl)oxy]pyrimidine is sourced from PubChem (CID 58061837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).