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

C11H10F4N4OS — CID 156865181

IUPAC4-fluoro-6-methoxy-2-(1-methyl-5-methylsulfanylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2cc(SC)n(C)n2)nc(F)c1C(F)(F)F
InChIInChI=1S/C11H10F4N4OS/c1-19-6(21-3)4-5(18-19)9-16-8(12)7(11(13,14)15)10(17-9)20-2/h4H,1-3H3
InChIKeyFREJBCHRTPUECZ-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.77
Rot. Bonds3

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

4-fluoro-6-methoxy-2-(1-methyl-5-methylsulfanylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine (PubChem CID 156865181) has the molecular formula C11H10F4N4OS and a molecular weight of 322.29 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-2-(1-methyl-5-methylsulfanylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-methoxy-2-(1-methyl-5-methylsulfanylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine
PubChem CID156865181
Molecular FormulaC11H10F4N4OS
Molecular Weight322.29 g/mol
Exact Mass322.05
IUPAC Name4-fluoro-6-methoxy-2-(1-methyl-5-methylsulfanylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2cc(SC)n(C)n2)nc(F)c1C(F)(F)F
InChIInChI=1S/C11H10F4N4OS/c1-19-6(21-3)4-5(18-19)9-16-8(12)7(11(13,14)15)10(17-9)20-2/h4H,1-3H3
InChIKeyFREJBCHRTPUECZ-UHFFFAOYSA-N
XLogP2.77
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-6-methoxy-2-(1-methyl-5-methylsulfanylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-2-(1-methyl-5-methylsulfanylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-fluoro-6-methoxy-2-(1-methyl-5-methylsulfanylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine (CID 156865181) is 4-fluoro-6-methoxy-2-(1-methyl-5-methylsulfanylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-methoxy-2-(1-methyl-5-methylsulfanylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-fluoro-6-methoxy-2-(1-methyl-5-methylsulfanylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine is COc1nc(-c2cc(SC)n(C)n2)nc(F)c1C(F)(F)F.
What is the InChIKey of 4-fluoro-6-methoxy-2-(1-methyl-5-methylsulfanylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is FREJBCHRTPUECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N4OS/c1-19-6(21-3)4-5(18-19)9-16-8(12)7(11(13,14)15)10(17-9)20-2/h4H,1-3H3.
What are the key properties of 4-fluoro-6-methoxy-2-(1-methyl-5-methylsulfanylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine?
4-fluoro-6-methoxy-2-(1-methyl-5-methylsulfanylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 322.29 g/mol, XLogP of 2.77, 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-(1-methyl-5-methylsulfanylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 156865181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).