2-(3-methylbutoxy)-5-(trifluoromethyl)pyrimidine

C10H13F3N2O — CID 58044548

IUPAC2-(3-methylbutoxy)-5-(trifluoromethyl)pyrimidine
SMILESCC(C)CCOc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O/c1-7(2)3-4-16-9-14-5-8(6-15-9)10(11,12)13/h5-7H,3-4H2,1-2H3
InChIKeyZTKOHKKHASJKET-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.92
Rot. Bonds4

About 2-(3-methylbutoxy)-5-(trifluoromethyl)pyrimidine

2-(3-methylbutoxy)-5-(trifluoromethyl)pyrimidine (PubChem CID 58044548) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(3-methylbutoxy)-5-(trifluoromethyl)pyrimidine
PubChem CID58044548
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2-(3-methylbutoxy)-5-(trifluoromethyl)pyrimidine
SMILESCC(C)CCOc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O/c1-7(2)3-4-16-9-14-5-8(6-15-9)10(11,12)13/h5-7H,3-4H2,1-2H3
InChIKeyZTKOHKKHASJKET-UHFFFAOYSA-N
XLogP2.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.92
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
2-Ethoxy-5-(tributylstannyl)pyrimidine
CID 16427129
4-Chloro-2-methoxy-5-(trifluoromethyl)pyrimidine
CID 57446850
Pyrimidine, 2-butoxy-
CID 19373012
Pyrimidine, 2-isobutoxy-
CID 23388567
2-Ethoxy-5-methylpyrimidine
CID 23393991
5-Fluoro-2-methoxypyrimidine
CID 140189

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(3-methylbutoxy)-5-(trifluoromethyl)pyrimidine (CID 58044548) is 2-(3-methylbutoxy)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(3-methylbutoxy)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(3-methylbutoxy)-5-(trifluoromethyl)pyrimidine is CC(C)CCOc1ncc(C(F)(F)F)cn1.
What is the InChIKey of 2-(3-methylbutoxy)-5-(trifluoromethyl)pyrimidine?
The InChIKey is ZTKOHKKHASJKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-7(2)3-4-16-9-14-5-8(6-15-9)10(11,12)13/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-(3-methylbutoxy)-5-(trifluoromethyl)pyrimidine?
2-(3-methylbutoxy)-5-(trifluoromethyl)pyrimidine has a molecular weight of 234.22 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 58044548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).