2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine

C11H12ClF3N2O — CID 114157440

IUPAC2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(OCCC2CCC2)nc(Cl)n1
InChIInChI=1S/C11H12ClF3N2O/c12-10-16-8(11(13,14)15)6-9(17-10)18-5-4-7-2-1-3-7/h6-7H,1-5H2
InChIKeyNTPVLCABRUVXNJ-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.72
Rot. Bonds4

About 2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine

2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine (PubChem CID 114157440) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is 2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine
PubChem CID114157440
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(OCCC2CCC2)nc(Cl)n1
InChIInChI=1S/C11H12ClF3N2O/c12-10-16-8(11(13,14)15)6-9(17-10)18-5-4-7-2-1-3-7/h6-7H,1-5H2
InChIKeyNTPVLCABRUVXNJ-UHFFFAOYSA-N
XLogP3.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine
CID 106201441
2-chloro-4-cyclopentyloxy-6-(trifluoromethyl)pyrimidine
CID 114561964
2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine
CID 114562086
2-chloro-4-hexoxy-6-(trifluoromethyl)pyrimidine
CID 114561993
2-chloro-4-(2-phenoxyethoxy)-6-(trifluoromethyl)pyrimidine
CID 114561970
2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562240
2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile
CID 106201384
2-chloro-6-(2-cyclobutylethoxy)-4-nitropyridine
CID 106201462
4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine
CID 106203574
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566419
4-(2-cyclobutylethoxy)-6-methylpyrimidin-2-amine
CID 106207412
4-[(2-bromophenyl)methoxy]-2-chloro-6-(trifluoromethyl)pyrimidine
CID 114562131

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine (CID 114157440) is 2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(OCCC2CCC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine?
The InChIKey is NTPVLCABRUVXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c12-10-16-8(11(13,14)15)6-9(17-10)18-5-4-7-2-1-3-7/h6-7H,1-5H2.
What are the key properties of 2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine?
2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine has a molecular weight of 280.68 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-cyclobutylethoxy)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114157440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).