6-methoxy-1-methyl-3-[5-(trifluoromethyl)pyrimidin-4-yl]indole

C15H12F3N3O — CID 150079095

IUPAC6-methoxy-1-methyl-3-[5-(trifluoromethyl)pyrimidin-4-yl]indole
SMILESCOc1ccc2c(-c3ncncc3C(F)(F)F)cn(C)c2c1
InChIInChI=1S/C15H12F3N3O/c1-21-7-11(10-4-3-9(22-2)5-13(10)21)14-12(15(16,17)18)6-19-8-20-14/h3-8H,1-2H3
InChIKeyDQWSDAUORKHOLI-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.66
Rot. Bonds2

About 6-methoxy-1-methyl-3-[5-(trifluoromethyl)pyrimidin-4-yl]indole

6-methoxy-1-methyl-3-[5-(trifluoromethyl)pyrimidin-4-yl]indole (PubChem CID 150079095) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 6-methoxy-1-methyl-3-[5-(trifluoromethyl)pyrimidin-4-yl]indole.

Molecular Properties

Compound Name6-methoxy-1-methyl-3-[5-(trifluoromethyl)pyrimidin-4-yl]indole
PubChem CID150079095
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name6-methoxy-1-methyl-3-[5-(trifluoromethyl)pyrimidin-4-yl]indole
SMILESCOc1ccc2c(-c3ncncc3C(F)(F)F)cn(C)c2c1
InChIInChI=1S/C15H12F3N3O/c1-21-7-11(10-4-3-9(22-2)5-13(10)21)14-12(15(16,17)18)6-19-8-20-14/h3-8H,1-2H3
InChIKeyDQWSDAUORKHOLI-UHFFFAOYSA-N
XLogP3.66
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-3-[5-(trifluoromethyl)pyrimidin-4-yl]indole?
The IUPAC name of 6-methoxy-1-methyl-3-[5-(trifluoromethyl)pyrimidin-4-yl]indole (CID 150079095) is 6-methoxy-1-methyl-3-[5-(trifluoromethyl)pyrimidin-4-yl]indole.
What is the SMILES notation for 6-methoxy-1-methyl-3-[5-(trifluoromethyl)pyrimidin-4-yl]indole?
The canonical SMILES for 6-methoxy-1-methyl-3-[5-(trifluoromethyl)pyrimidin-4-yl]indole is COc1ccc2c(-c3ncncc3C(F)(F)F)cn(C)c2c1.
What is the InChIKey of 6-methoxy-1-methyl-3-[5-(trifluoromethyl)pyrimidin-4-yl]indole?
The InChIKey is DQWSDAUORKHOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-21-7-11(10-4-3-9(22-2)5-13(10)21)14-12(15(16,17)18)6-19-8-20-14/h3-8H,1-2H3.
What are the key properties of 6-methoxy-1-methyl-3-[5-(trifluoromethyl)pyrimidin-4-yl]indole?
6-methoxy-1-methyl-3-[5-(trifluoromethyl)pyrimidin-4-yl]indole has a molecular weight of 307.28 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-3-[5-(trifluoromethyl)pyrimidin-4-yl]indole is sourced from PubChem (CID 150079095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).