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

C10H8F4N4O — CID 156865187

IUPAC4-fluoro-6-methoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-n2ccnc2C)nc(F)c1C(F)(F)F
InChIInChI=1S/C10H8F4N4O/c1-5-15-3-4-18(5)9-16-7(11)6(10(12,13)14)8(17-9)19-2/h3-4H,1-2H3
InChIKeyUDDLIAGYUMCDRE-UHFFFAOYSA-N
MW276.19 g/mol
LogP2.14
Rot. Bonds2

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

4-fluoro-6-methoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine (PubChem CID 156865187) has the molecular formula C10H8F4N4O and a molecular weight of 276.19 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-methoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine
PubChem CID156865187
Molecular FormulaC10H8F4N4O
Molecular Weight276.19 g/mol
Exact Mass276.06
IUPAC Name4-fluoro-6-methoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-n2ccnc2C)nc(F)c1C(F)(F)F
InChIInChI=1S/C10H8F4N4O/c1-5-15-3-4-18(5)9-16-7(11)6(10(12,13)14)8(17-9)19-2/h3-4H,1-2H3
InChIKeyUDDLIAGYUMCDRE-UHFFFAOYSA-N
XLogP2.14
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 52.14
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-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-fluoro-6-methoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine (CID 156865187) is 4-fluoro-6-methoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-methoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-fluoro-6-methoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine is COc1nc(-n2ccnc2C)nc(F)c1C(F)(F)F.
What is the InChIKey of 4-fluoro-6-methoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is UDDLIAGYUMCDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N4O/c1-5-15-3-4-18(5)9-16-7(11)6(10(12,13)14)8(17-9)19-2/h3-4H,1-2H3.
What are the key properties of 4-fluoro-6-methoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine?
4-fluoro-6-methoxy-2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 276.19 g/mol, XLogP of 2.14, 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-(2-methylimidazol-1-yl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 156865187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).