4-propan-2-yloxy-6-(trifluoromethyl)pyrimidine

C8H9F3N2O — CID 91532673

IUPAC4-propan-2-yloxy-6-(trifluoromethyl)pyrimidine
SMILESCC(C)Oc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C8H9F3N2O/c1-5(2)14-7-3-6(8(9,10)11)12-4-13-7/h3-5H,1-2H3
InChIKeyVXZJPGJXPIQDJH-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.28
Rot. Bonds2

About 4-propan-2-yloxy-6-(trifluoromethyl)pyrimidine

4-propan-2-yloxy-6-(trifluoromethyl)pyrimidine (PubChem CID 91532673) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 4-propan-2-yloxy-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-propan-2-yloxy-6-(trifluoromethyl)pyrimidine
PubChem CID91532673
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name4-propan-2-yloxy-6-(trifluoromethyl)pyrimidine
SMILESCC(C)Oc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C8H9F3N2O/c1-5(2)14-7-3-6(8(9,10)11)12-4-13-7/h3-5H,1-2H3
InChIKeyVXZJPGJXPIQDJH-UHFFFAOYSA-N
XLogP2.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Methoxyethoxy)-6-methylpyrimidin-2-amine
CID 3777900
4-(2,2-Dimethylpropoxy)-6-methylpyrimidin-2-amine
CID 57063267
4-Methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine
CID 2246718
4-(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-heptyloxy)-6-methyl-pyrimidin-2-ylamine
CID 3109471
4-Methoxy-6-methylpyrimidine
CID 11959085
2,4-Diethoxy-6-methylpyrimidine
CID 260112
2-(2-Amino-6-methylpyrimidin-4-yl)oxyacetonitrile
CID 3158769
4-(Difluoromethoxy)-6-methylpyrimidin-2-amine
CID 2817390
2-Chloro-4-methoxy-6-(trifluoromethyl)pyrimidine
CID 19100561
6-Methoxypyrimidine-4-carbonitrile
CID 59238022
2,4-Dimethyl-6-ethoxypyrimidine
CID 12318269
4-Ethoxy-6-(trifluoromethyl)pyrimidine-5-carbonitrile
CID 24975441

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-propan-2-yloxy-6-(trifluoromethyl)pyrimidine (CID 91532673) is 4-propan-2-yloxy-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-propan-2-yloxy-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-propan-2-yloxy-6-(trifluoromethyl)pyrimidine is CC(C)Oc1cc(C(F)(F)F)ncn1.
What is the InChIKey of 4-propan-2-yloxy-6-(trifluoromethyl)pyrimidine?
The InChIKey is VXZJPGJXPIQDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-5(2)14-7-3-6(8(9,10)11)12-4-13-7/h3-5H,1-2H3.
What are the key properties of 4-propan-2-yloxy-6-(trifluoromethyl)pyrimidine?
4-propan-2-yloxy-6-(trifluoromethyl)pyrimidine has a molecular weight of 206.17 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 91532673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).