2-(thiolan-3-yloxy)-4-(trifluoromethyl)pyrimidine

C9H9F3N2OS — CID 126953932

IUPAC2-(thiolan-3-yloxy)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(OC2CCSC2)n1
InChIInChI=1S/C9H9F3N2OS/c10-9(11,12)7-1-3-13-8(14-7)15-6-2-4-16-5-6/h1,3,6H,2,4-5H2
InChIKeyAFYJNNVKNDHCDE-UHFFFAOYSA-N
MW250.24 g/mol
LogP2.38
Rot. Bonds2

About 2-(thiolan-3-yloxy)-4-(trifluoromethyl)pyrimidine

2-(thiolan-3-yloxy)-4-(trifluoromethyl)pyrimidine (PubChem CID 126953932) has the molecular formula C9H9F3N2OS and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-(thiolan-3-yloxy)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(thiolan-3-yloxy)-4-(trifluoromethyl)pyrimidine
PubChem CID126953932
Molecular FormulaC9H9F3N2OS
Molecular Weight250.24 g/mol
Exact Mass250.04
IUPAC Name2-(thiolan-3-yloxy)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(OC2CCSC2)n1
InChIInChI=1S/C9H9F3N2OS/c10-9(11,12)7-1-3-13-8(14-7)15-6-2-4-16-5-6/h1,3,6H,2,4-5H2
InChIKeyAFYJNNVKNDHCDE-UHFFFAOYSA-N
XLogP2.38
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)-
CID 78585
3-[4-(Trifluoromethyl)pyrimidin-2-yl]sulfanyloxolan-2-one
CID 45867284
2-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine
CID 164630287
2-Propan-2-yloxy-4-(trifluoromethyl)pyrimidine
CID 17818253
2-(2,2-Dimethylpropylsulfanyl)-4-(trifluoromethyl)pyrimidine
CID 20785783
2-(4,4-Difluorobut-3-enylsulfanyl)-4-methylpyrimidine
CID 21478865
3-[4-(Trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one
CID 54497903
4-Methyl-2-(4,4,4-trifluorobut-2-enylsulfanyl)pyrimidine
CID 57102168
2-Ethoxy-4-(trifluoromethyl)pyrimidine
CID 58742030
1-[4-(Trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-2-ol
CID 69160614
2-Propylsulfanyl-4-(trifluoromethyl)pyrimidine
CID 70810114
2-Pentoxy-4-(trifluoromethyl)pyrimidine
CID 70883374

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-yloxy)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(thiolan-3-yloxy)-4-(trifluoromethyl)pyrimidine (CID 126953932) is 2-(thiolan-3-yloxy)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(thiolan-3-yloxy)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(thiolan-3-yloxy)-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(OC2CCSC2)n1.
What is the InChIKey of 2-(thiolan-3-yloxy)-4-(trifluoromethyl)pyrimidine?
The InChIKey is AFYJNNVKNDHCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2OS/c10-9(11,12)7-1-3-13-8(14-7)15-6-2-4-16-5-6/h1,3,6H,2,4-5H2.
What are the key properties of 2-(thiolan-3-yloxy)-4-(trifluoromethyl)pyrimidine?
2-(thiolan-3-yloxy)-4-(trifluoromethyl)pyrimidine has a molecular weight of 250.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-yloxy)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 126953932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).