2-methyl-4-(thiolan-3-yloxy)-6-(trifluoromethyl)pyrimidine

C10H11F3N2OS — CID 126954265

IUPAC2-methyl-4-(thiolan-3-yloxy)-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(OC2CCSC2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N2OS/c1-6-14-8(10(11,12)13)4-9(15-6)16-7-2-3-17-5-7/h4,7H,2-3,5H2,1H3
InChIKeyARGWKXATCNLTHU-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.69
Rot. Bonds2

About 2-methyl-4-(thiolan-3-yloxy)-6-(trifluoromethyl)pyrimidine

2-methyl-4-(thiolan-3-yloxy)-6-(trifluoromethyl)pyrimidine (PubChem CID 126954265) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-methyl-4-(thiolan-3-yloxy)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(thiolan-3-yloxy)-6-(trifluoromethyl)pyrimidine
PubChem CID126954265
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name2-methyl-4-(thiolan-3-yloxy)-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(OC2CCSC2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N2OS/c1-6-14-8(10(11,12)13)4-9(15-6)16-7-2-3-17-5-7/h4,7H,2-3,5H2,1H3
InChIKeyARGWKXATCNLTHU-UHFFFAOYSA-N
XLogP2.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(thiolan-3-yloxy)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methyl-4-(thiolan-3-yloxy)-6-(trifluoromethyl)pyrimidine (CID 126954265) is 2-methyl-4-(thiolan-3-yloxy)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methyl-4-(thiolan-3-yloxy)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methyl-4-(thiolan-3-yloxy)-6-(trifluoromethyl)pyrimidine is Cc1nc(OC2CCSC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-4-(thiolan-3-yloxy)-6-(trifluoromethyl)pyrimidine?
The InChIKey is ARGWKXATCNLTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c1-6-14-8(10(11,12)13)4-9(15-6)16-7-2-3-17-5-7/h4,7H,2-3,5H2,1H3.
What are the key properties of 2-methyl-4-(thiolan-3-yloxy)-6-(trifluoromethyl)pyrimidine?
2-methyl-4-(thiolan-3-yloxy)-6-(trifluoromethyl)pyrimidine has a molecular weight of 264.27 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(thiolan-3-yloxy)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 126954265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).