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

C11H8F4N4O — CID 163460917

IUPAC4-fluoro-6-methoxy-2-(4-methylpyrimidin-5-yl)-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2cncnc2C)nc(F)c1C(F)(F)F
InChIInChI=1S/C11H8F4N4O/c1-5-6(3-16-4-17-5)9-18-8(12)7(11(13,14)15)10(19-9)20-2/h3-4H,1-2H3
InChIKeyNNZUTQCDFOCVRH-UHFFFAOYSA-N
MW288.20 g/mol
LogP2.41
Rot. Bonds2

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

4-fluoro-6-methoxy-2-(4-methylpyrimidin-5-yl)-5-(trifluoromethyl)pyrimidine (PubChem CID 163460917) has the molecular formula C11H8F4N4O and a molecular weight of 288.20 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-2-(4-methylpyrimidin-5-yl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-methoxy-2-(4-methylpyrimidin-5-yl)-5-(trifluoromethyl)pyrimidine
PubChem CID163460917
Molecular FormulaC11H8F4N4O
Molecular Weight288.20 g/mol
Exact Mass288.06
IUPAC Name4-fluoro-6-methoxy-2-(4-methylpyrimidin-5-yl)-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2cncnc2C)nc(F)c1C(F)(F)F
InChIInChI=1S/C11H8F4N4O/c1-5-6(3-16-4-17-5)9-18-8(12)7(11(13,14)15)10(19-9)20-2/h3-4H,1-2H3
InChIKeyNNZUTQCDFOCVRH-UHFFFAOYSA-N
XLogP2.41
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-2-(4-methylpyrimidin-5-yl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-fluoro-6-methoxy-2-(4-methylpyrimidin-5-yl)-5-(trifluoromethyl)pyrimidine (CID 163460917) is 4-fluoro-6-methoxy-2-(4-methylpyrimidin-5-yl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-methoxy-2-(4-methylpyrimidin-5-yl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-fluoro-6-methoxy-2-(4-methylpyrimidin-5-yl)-5-(trifluoromethyl)pyrimidine is COc1nc(-c2cncnc2C)nc(F)c1C(F)(F)F.
What is the InChIKey of 4-fluoro-6-methoxy-2-(4-methylpyrimidin-5-yl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is NNZUTQCDFOCVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N4O/c1-5-6(3-16-4-17-5)9-18-8(12)7(11(13,14)15)10(19-9)20-2/h3-4H,1-2H3.
What are the key properties of 4-fluoro-6-methoxy-2-(4-methylpyrimidin-5-yl)-5-(trifluoromethyl)pyrimidine?
4-fluoro-6-methoxy-2-(4-methylpyrimidin-5-yl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 288.20 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-2-(4-methylpyrimidin-5-yl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 163460917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).