3-(2,6-dimethoxy-5-phenylpyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol

C16H17F3N2O3 — CID 16732731

IUPAC3-(2,6-dimethoxy-5-phenylpyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCOc1nc(CC(C)(O)C(F)(F)F)c(-c2ccccc2)c(OC)n1
InChIInChI=1S/C16H17F3N2O3/c1-15(22,16(17,18)19)9-11-12(10-7-5-4-6-8-10)13(23-2)21-14(20-11)24-3/h4-8,22H,9H2,1-3H3
InChIKeyNEGBNZDKCSIZBM-UHFFFAOYSA-N
MW342.32 g/mol
LogP3.02
Rot. Bonds5

About 3-(2,6-dimethoxy-5-phenylpyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol

3-(2,6-dimethoxy-5-phenylpyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 16732731) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is 3-(2,6-dimethoxy-5-phenylpyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-(2,6-dimethoxy-5-phenylpyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID16732731
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name3-(2,6-dimethoxy-5-phenylpyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCOc1nc(CC(C)(O)C(F)(F)F)c(-c2ccccc2)c(OC)n1
InChIInChI=1S/C16H17F3N2O3/c1-15(22,16(17,18)19)9-11-12(10-7-5-4-6-8-10)13(23-2)21-14(20-11)24-3/h4-8,22H,9H2,1-3H3
InChIKeyNEGBNZDKCSIZBM-UHFFFAOYSA-N
XLogP3.02
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxy-5-phenylpyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of 3-(2,6-dimethoxy-5-phenylpyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol (CID 16732731) is 3-(2,6-dimethoxy-5-phenylpyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for 3-(2,6-dimethoxy-5-phenylpyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for 3-(2,6-dimethoxy-5-phenylpyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol is COc1nc(CC(C)(O)C(F)(F)F)c(-c2ccccc2)c(OC)n1.
What is the InChIKey of 3-(2,6-dimethoxy-5-phenylpyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is NEGBNZDKCSIZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c1-15(22,16(17,18)19)9-11-12(10-7-5-4-6-8-10)13(23-2)21-14(20-11)24-3/h4-8,22H,9H2,1-3H3.
What are the key properties of 3-(2,6-dimethoxy-5-phenylpyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol?
3-(2,6-dimethoxy-5-phenylpyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 342.32 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxy-5-phenylpyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 16732731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).