4-fluoro-6-methoxy-2-(3-methoxy-1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine

C11H10F4N4O2 — CID 156865191

IUPAC4-fluoro-6-methoxy-2-(3-methoxy-1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine
SMILESCOc1nn(C)cc1-c1nc(F)c(C(F)(F)F)c(OC)n1
InChIInChI=1S/C11H10F4N4O2/c1-19-4-5(9(18-19)20-2)8-16-7(12)6(11(13,14)15)10(17-8)21-3/h4H,1-3H3
InChIKeyGDYXFVSFBYFFJI-UHFFFAOYSA-N
MW306.22 g/mol
LogP2.05
Rot. Bonds3

About 4-fluoro-6-methoxy-2-(3-methoxy-1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine

4-fluoro-6-methoxy-2-(3-methoxy-1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine (PubChem CID 156865191) has the molecular formula C11H10F4N4O2 and a molecular weight of 306.22 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-2-(3-methoxy-1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-methoxy-2-(3-methoxy-1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine
PubChem CID156865191
Molecular FormulaC11H10F4N4O2
Molecular Weight306.22 g/mol
Exact Mass306.07
IUPAC Name4-fluoro-6-methoxy-2-(3-methoxy-1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine
SMILESCOc1nn(C)cc1-c1nc(F)c(C(F)(F)F)c(OC)n1
InChIInChI=1S/C11H10F4N4O2/c1-19-4-5(9(18-19)20-2)8-16-7(12)6(11(13,14)15)10(17-8)21-3/h4H,1-3H3
InChIKeyGDYXFVSFBYFFJI-UHFFFAOYSA-N
XLogP2.05
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-2-(3-methoxy-1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-fluoro-6-methoxy-2-(3-methoxy-1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine (CID 156865191) is 4-fluoro-6-methoxy-2-(3-methoxy-1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-methoxy-2-(3-methoxy-1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-fluoro-6-methoxy-2-(3-methoxy-1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine is COc1nn(C)cc1-c1nc(F)c(C(F)(F)F)c(OC)n1.
What is the InChIKey of 4-fluoro-6-methoxy-2-(3-methoxy-1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is GDYXFVSFBYFFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N4O2/c1-19-4-5(9(18-19)20-2)8-16-7(12)6(11(13,14)15)10(17-8)21-3/h4H,1-3H3.
What are the key properties of 4-fluoro-6-methoxy-2-(3-methoxy-1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine?
4-fluoro-6-methoxy-2-(3-methoxy-1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 306.22 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-2-(3-methoxy-1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 156865191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).