2-(2-ethyl-2-methyloctyl)-4-methyl-6-(trifluoromethyl)pyrimidine

C17H27F3N2 — CID 135265136

IUPAC2-(2-ethyl-2-methyloctyl)-4-methyl-6-(trifluoromethyl)pyrimidine
SMILESCCCCCCC(C)(CC)Cc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C17H27F3N2/c1-5-7-8-9-10-16(4,6-2)12-15-21-13(3)11-14(22-15)17(18,19)20/h11H,5-10,12H2,1-4H3
InChIKeyGCMWOCIYNQVCOM-UHFFFAOYSA-N
MW316.41 g/mol
LogP5.73
Rot. Bonds8

About 2-(2-ethyl-2-methyloctyl)-4-methyl-6-(trifluoromethyl)pyrimidine

2-(2-ethyl-2-methyloctyl)-4-methyl-6-(trifluoromethyl)pyrimidine (PubChem CID 135265136) has the molecular formula C17H27F3N2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-(2-ethyl-2-methyloctyl)-4-methyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(2-ethyl-2-methyloctyl)-4-methyl-6-(trifluoromethyl)pyrimidine
PubChem CID135265136
Molecular FormulaC17H27F3N2
Molecular Weight316.41 g/mol
Exact Mass316.21
IUPAC Name2-(2-ethyl-2-methyloctyl)-4-methyl-6-(trifluoromethyl)pyrimidine
SMILESCCCCCCC(C)(CC)Cc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C17H27F3N2/c1-5-7-8-9-10-16(4,6-2)12-15-21-13(3)11-14(22-15)17(18,19)20/h11H,5-10,12H2,1-4H3
InChIKeyGCMWOCIYNQVCOM-UHFFFAOYSA-N
XLogP5.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.41
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 59096535
5-methyl-1-(5-methyldodecan-5-yl)-3-(trifluoromethyl)pyrazole
CID 146377469
4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine
CID 58549929
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyldodecane
CID 56619966
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propane-1-sulfonamide
CID 131892619
5-ethyl-5-methylhenicosane
CID 86034991
5-ethyl-5-methylundecane
CID 57491570
5-ethyl-5-methylhentetracontane
CID 123896152
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2-methyloctyl)-4-methyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(2-ethyl-2-methyloctyl)-4-methyl-6-(trifluoromethyl)pyrimidine (CID 135265136) is 2-(2-ethyl-2-methyloctyl)-4-methyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(2-ethyl-2-methyloctyl)-4-methyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(2-ethyl-2-methyloctyl)-4-methyl-6-(trifluoromethyl)pyrimidine is CCCCCCC(C)(CC)Cc1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of 2-(2-ethyl-2-methyloctyl)-4-methyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is GCMWOCIYNQVCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3N2/c1-5-7-8-9-10-16(4,6-2)12-15-21-13(3)11-14(22-15)17(18,19)20/h11H,5-10,12H2,1-4H3.
What are the key properties of 2-(2-ethyl-2-methyloctyl)-4-methyl-6-(trifluoromethyl)pyrimidine?
2-(2-ethyl-2-methyloctyl)-4-methyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 316.41 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2-methyloctyl)-4-methyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 135265136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).