2-(2,2,3,3-tetrafluoropropylsulfanyl)-1,4,5,6-tetrahydropyrimidine

C7H10F4N2S — CID 71758767

IUPAC2-(2,2,3,3-tetrafluoropropylsulfanyl)-1,4,5,6-tetrahydropyrimidine
SMILESFC(F)C(F)(F)CSC1=NCCCN1
InChIInChI=1S/C7H10F4N2S/c8-5(9)7(10,11)4-14-6-12-2-1-3-13-6/h5H,1-4H2,(H,12,13)
InChIKeyXUQSLSPLTTULJS-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.97
Rot. Bonds3

About 2-(2,2,3,3-tetrafluoropropylsulfanyl)-1,4,5,6-tetrahydropyrimidine

2-(2,2,3,3-tetrafluoropropylsulfanyl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 71758767) has the molecular formula C7H10F4N2S and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropylsulfanyl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropylsulfanyl)-1,4,5,6-tetrahydropyrimidine
PubChem CID71758767
Molecular FormulaC7H10F4N2S
Molecular Weight230.23 g/mol
Exact Mass230.05
IUPAC Name2-(2,2,3,3-tetrafluoropropylsulfanyl)-1,4,5,6-tetrahydropyrimidine
SMILESFC(F)C(F)(F)CSC1=NCCCN1
InChIInChI=1S/C7H10F4N2S/c8-5(9)7(10,11)4-14-6-12-2-1-3-13-6/h5H,1-4H2,(H,12,13)
InChIKeyXUQSLSPLTTULJS-UHFFFAOYSA-N
XLogP1.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1,4,5,6-Tetrahydro-pyrimidin-2-ylsulfanyl)-propylamine
CID 651302
3-(1,4,5,6-Tetrahydro-pyrimidin-2-ylsulfanyl)-propylamine hydrobromide
CID 6602989
2,2,2-trifluoroethyl N-ethyl-N'-methylcarbamimidothioate
CID 134202270
5,5-difluoro-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine
CID 164709206
N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43148974
N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 63227280
N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63227324
5-methyl-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63227327
5-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035053
5-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036111
CID 71758765
CID 71758765
N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943215

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropylsulfanyl)-1,4,5,6-tetrahydropyrimidine (CID 71758767) is 2-(2,2,3,3-tetrafluoropropylsulfanyl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropylsulfanyl)-1,4,5,6-tetrahydropyrimidine is FC(F)C(F)(F)CSC1=NCCCN1.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is XUQSLSPLTTULJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4N2S/c8-5(9)7(10,11)4-14-6-12-2-1-3-13-6/h5H,1-4H2,(H,12,13).
What are the key properties of 2-(2,2,3,3-tetrafluoropropylsulfanyl)-1,4,5,6-tetrahydropyrimidine?
2-(2,2,3,3-tetrafluoropropylsulfanyl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 230.23 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropylsulfanyl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 71758767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).