3-(2,6-dimethoxypyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol

C10H13F3N2O3 — CID 16732728

IUPAC3-(2,6-dimethoxypyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCOc1cc(CC(C)(O)C(F)(F)F)nc(OC)n1
InChIInChI=1S/C10H13F3N2O3/c1-9(16,10(11,12)13)5-6-4-7(17-2)15-8(14-6)18-3/h4,16H,5H2,1-3H3
InChIKeyRYFQYNNACJOBLF-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.35
Rot. Bonds4

About 3-(2,6-dimethoxypyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol

3-(2,6-dimethoxypyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 16732728) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 3-(2,6-dimethoxypyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-(2,6-dimethoxypyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID16732728
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name3-(2,6-dimethoxypyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCOc1cc(CC(C)(O)C(F)(F)F)nc(OC)n1
InChIInChI=1S/C10H13F3N2O3/c1-9(16,10(11,12)13)5-6-4-7(17-2)15-8(14-6)18-3/h4,16H,5H2,1-3H3
InChIKeyRYFQYNNACJOBLF-UHFFFAOYSA-N
XLogP1.35
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2,6-Dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-yl] acetate
CID 16732578
4-Methoxy-6-[(2-methyltetrahydrofuran-2-yl)methyl]-2-propoxy-pyrimidine
CID 492060
2-[(2,6-Dimethoxy-5-methylpyrimidin-4-yl)methyl]propane-1,2,3-triol
CID 10355147
1-(2,6-Dimethoxypyrimidin-4-yl)-3-fluoro-2-methylpropan-2-ol
CID 16732577
1-(2,6-Dimethoxypyrimidin-4-yl)-2,2,2-trifluoroethane-1,1-diol
CID 89774042
1-(2,6-Dimethoxypyrimidin-4-yl)-2,2,2-trifluoroethanol
CID 89774043
2,4-Dimethoxy-6-(2,2,2-trifluoroethyl)pyrimidine
CID 89774049
4-Propan-2-yl-2,6-bis(2,2,2-trifluoroethoxy)pyrimidine
CID 122470194
(1S)-1-(2,6-dimethoxypyrimidin-4-yl)-2,2,2-trifluoroethanol
CID 132009520
2-Chloro-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine
CID 170576744
4-Methoxy-6-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 171556907
3-(2,6-Dimethoxypyrimidin-4-yl)-1,1,1-trifluoropropane-2,2-diol
CID 16732888

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxypyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of 3-(2,6-dimethoxypyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol (CID 16732728) is 3-(2,6-dimethoxypyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for 3-(2,6-dimethoxypyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for 3-(2,6-dimethoxypyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol is COc1cc(CC(C)(O)C(F)(F)F)nc(OC)n1.
What is the InChIKey of 3-(2,6-dimethoxypyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is RYFQYNNACJOBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-9(16,10(11,12)13)5-6-4-7(17-2)15-8(14-6)18-3/h4,16H,5H2,1-3H3.
What are the key properties of 3-(2,6-dimethoxypyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol?
3-(2,6-dimethoxypyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 266.22 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxypyrimidin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 16732728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).