6-[[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methyl]quinoline

C17H14F3N3O2 — CID 86190744

IUPAC6-[[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methyl]quinoline
SMILESCOc1nc(OC)c(Cc2ccc3ncccc3c2)c(C(F)(F)F)n1
InChIInChI=1S/C17H14F3N3O2/c1-24-15-12(14(17(18,19)20)22-16(23-15)25-2)9-10-5-6-13-11(8-10)4-3-7-21-13/h3-8H,9H2,1-2H3
InChIKeyCUYJWVOPYUHKJR-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.65
Rot. Bonds4

About 6-[[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methyl]quinoline

6-[[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methyl]quinoline (PubChem CID 86190744) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 6-[[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methyl]quinoline
PubChem CID86190744
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name6-[[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methyl]quinoline
SMILESCOc1nc(OC)c(Cc2ccc3ncccc3c2)c(C(F)(F)F)n1
InChIInChI=1S/C17H14F3N3O2/c1-24-15-12(14(17(18,19)20)22-16(23-15)25-2)9-10-5-6-13-11(8-10)4-3-7-21-13/h3-8H,9H2,1-2H3
InChIKeyCUYJWVOPYUHKJR-UHFFFAOYSA-N
XLogP3.65
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methyl]quinoline?
The IUPAC name of 6-[[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methyl]quinoline (CID 86190744) is 6-[[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methyl]quinoline.
What is the SMILES notation for 6-[[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methyl]quinoline?
The canonical SMILES for 6-[[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methyl]quinoline is COc1nc(OC)c(Cc2ccc3ncccc3c2)c(C(F)(F)F)n1.
What is the InChIKey of 6-[[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methyl]quinoline?
The InChIKey is CUYJWVOPYUHKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-24-15-12(14(17(18,19)20)22-16(23-15)25-2)9-10-5-6-13-11(8-10)4-3-7-21-13/h3-8H,9H2,1-2H3.
What are the key properties of 6-[[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methyl]quinoline?
6-[[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methyl]quinoline has a molecular weight of 349.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,4-dimethoxy-6-(trifluoromethyl)pyrimidin-5-yl]methyl]quinoline is sourced from PubChem (CID 86190744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).