2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine

C10H10ClF3N2O — CID 132564090

IUPAC2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(C2CCOCC2)nc(Cl)n1
InChIInChI=1S/C10H10ClF3N2O/c11-9-15-7(6-1-3-17-4-2-6)5-8(16-9)10(12,13)14/h5-6H,1-4H2
InChIKeyQOLWFFWPTOSOIZ-UHFFFAOYSA-N
MW266.65 g/mol
LogP3.04
Rot. Bonds1

About 2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine

2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 132564090) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID132564090
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(C2CCOCC2)nc(Cl)n1
InChIInChI=1S/C10H10ClF3N2O/c11-9-15-7(6-1-3-17-4-2-6)5-8(16-9)10(12,13)14/h5-6H,1-4H2
InChIKeyQOLWFFWPTOSOIZ-UHFFFAOYSA-N
XLogP3.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-6-(oxan-4-yl)pyrimidine
CID 130056243
2-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562632
2-chloro-4-(oxan-4-ylmethoxy)-6-(trifluoromethyl)pyrimidine
CID 114562086
2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562925
7-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 114563116
2-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562672
2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine
CID 119004261
2-chloro-4-cyclopentyloxy-6-(trifluoromethyl)pyrimidine
CID 114561964
2-chloro-4-cyclopentylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 114563044
N-cyclopentyl-4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821356
4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 114562791
4-bromo-2-chloro-6-cyclopropylpyrimidine
CID 130056238

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine (CID 132564090) is 2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(C2CCOCC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is QOLWFFWPTOSOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c11-9-15-7(6-1-3-17-4-2-6)5-8(16-9)10(12,13)14/h5-6H,1-4H2.
What are the key properties of 2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine?
2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 266.65 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 132564090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).