2-propan-2-yloxy-5-(trifluoromethyl)pyrimidine

C8H9F3N2O — CID 155657104

IUPAC2-propan-2-yloxy-5-(trifluoromethyl)pyrimidine
SMILESCC(C)Oc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2O/c1-5(2)14-7-12-3-6(4-13-7)8(9,10)11/h3-5H,1-2H3
InChIKeyWRUMPLIFDXLLKI-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.28
Rot. Bonds2

About 2-propan-2-yloxy-5-(trifluoromethyl)pyrimidine

2-propan-2-yloxy-5-(trifluoromethyl)pyrimidine (PubChem CID 155657104) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 2-propan-2-yloxy-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-propan-2-yloxy-5-(trifluoromethyl)pyrimidine
PubChem CID155657104
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name2-propan-2-yloxy-5-(trifluoromethyl)pyrimidine
SMILESCC(C)Oc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2O/c1-5(2)14-7-12-3-6(4-13-7)8(9,10)11/h3-5H,1-2H3
InChIKeyWRUMPLIFDXLLKI-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

5-(Trifluoromethyl)pyrimidine
CID 15273573
2-Methoxy-5-methylpyrimidin-4-amine
CID 573206
2,4-Difluoro-5-methylpyrimidine
CID 336950
2-Methoxy-5-methylpyrimidine
CID 580052
2-Fluoro-5-methylpyrimidine
CID 23268885
2-(2,2,2-Trifluoroethoxy)pyrimidine
CID 20162082
5-Bromo-2-(tert-butoxy)pyrimidine
CID 14242657
5-(Trifluoromethyl)pyrimidin-2-amine
CID 15273574
2-Ethoxy-5-(tributylstannyl)pyrimidine
CID 16427129
2-Ethoxypyrimidine-5-boronic acid
CID 16427142
2-Fluoro-5-(trifluoromethyl)pyrimidine
CID 20071885
4-Chloro-2-methoxy-5-(trifluoromethyl)pyrimidine
CID 57446850

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-propan-2-yloxy-5-(trifluoromethyl)pyrimidine (CID 155657104) is 2-propan-2-yloxy-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-propan-2-yloxy-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-propan-2-yloxy-5-(trifluoromethyl)pyrimidine is CC(C)Oc1ncc(C(F)(F)F)cn1.
What is the InChIKey of 2-propan-2-yloxy-5-(trifluoromethyl)pyrimidine?
The InChIKey is WRUMPLIFDXLLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-5(2)14-7-12-3-6(4-13-7)8(9,10)11/h3-5H,1-2H3.
What are the key properties of 2-propan-2-yloxy-5-(trifluoromethyl)pyrimidine?
2-propan-2-yloxy-5-(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 2-propan-2-yloxy-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 155657104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).