4-fluoro-6-methoxy-2-(5-methylfuran-3-yl)-5-(trifluoromethyl)pyrimidine

C11H8F4N2O2 — CID 171463125

IUPAC4-fluoro-6-methoxy-2-(5-methylfuran-3-yl)-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2coc(C)c2)nc(F)c1C(F)(F)F
InChIInChI=1S/C11H8F4N2O2/c1-5-3-6(4-19-5)9-16-8(12)7(11(13,14)15)10(17-9)18-2/h3-4H,1-2H3
InChIKeyIZAPBGKBQZYZKF-UHFFFAOYSA-N
MW276.19 g/mol
LogP3.21
Rot. Bonds2

About 4-fluoro-6-methoxy-2-(5-methylfuran-3-yl)-5-(trifluoromethyl)pyrimidine

4-fluoro-6-methoxy-2-(5-methylfuran-3-yl)-5-(trifluoromethyl)pyrimidine (PubChem CID 171463125) has the molecular formula C11H8F4N2O2 and a molecular weight of 276.19 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-2-(5-methylfuran-3-yl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-methoxy-2-(5-methylfuran-3-yl)-5-(trifluoromethyl)pyrimidine
PubChem CID171463125
Molecular FormulaC11H8F4N2O2
Molecular Weight276.19 g/mol
Exact Mass276.05
IUPAC Name4-fluoro-6-methoxy-2-(5-methylfuran-3-yl)-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2coc(C)c2)nc(F)c1C(F)(F)F
InChIInChI=1S/C11H8F4N2O2/c1-5-3-6(4-19-5)9-16-8(12)7(11(13,14)15)10(17-9)18-2/h3-4H,1-2H3
InChIKeyIZAPBGKBQZYZKF-UHFFFAOYSA-N
XLogP3.21
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-2-(5-methylfuran-3-yl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-fluoro-6-methoxy-2-(5-methylfuran-3-yl)-5-(trifluoromethyl)pyrimidine (CID 171463125) is 4-fluoro-6-methoxy-2-(5-methylfuran-3-yl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-methoxy-2-(5-methylfuran-3-yl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-fluoro-6-methoxy-2-(5-methylfuran-3-yl)-5-(trifluoromethyl)pyrimidine is COc1nc(-c2coc(C)c2)nc(F)c1C(F)(F)F.
What is the InChIKey of 4-fluoro-6-methoxy-2-(5-methylfuran-3-yl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is IZAPBGKBQZYZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2O2/c1-5-3-6(4-19-5)9-16-8(12)7(11(13,14)15)10(17-9)18-2/h3-4H,1-2H3.
What are the key properties of 4-fluoro-6-methoxy-2-(5-methylfuran-3-yl)-5-(trifluoromethyl)pyrimidine?
4-fluoro-6-methoxy-2-(5-methylfuran-3-yl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 276.19 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-2-(5-methylfuran-3-yl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 171463125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).