5,5-difluoro-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine

C5H8F2N2S — CID 164709206

IUPAC5,5-difluoro-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine
SMILESCSC1=NCC(F)(F)CN1
InChIInChI=1S/C5H8F2N2S/c1-10-4-8-2-5(6,7)3-9-4/h2-3H2,1H3,(H,8,9)
InChIKeyJUMDAVOVUKXWJH-UHFFFAOYSA-N
MW166.20 g/mol
LogP0.94
Rot. Bonds

About 5,5-difluoro-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine

5,5-difluoro-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine (PubChem CID 164709206) has the molecular formula C5H8F2N2S and a molecular weight of 166.20 g/mol. Its IUPAC name is 5,5-difluoro-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name5,5-difluoro-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine
PubChem CID164709206
Molecular FormulaC5H8F2N2S
Molecular Weight166.20 g/mol
Exact Mass166.04
IUPAC Name5,5-difluoro-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine
SMILESCSC1=NCC(F)(F)CN1
InChIInChI=1S/C5H8F2N2S/c1-10-4-8-2-5(6,7)3-9-4/h2-3H2,1H3,(H,8,9)
InChIKeyJUMDAVOVUKXWJH-UHFFFAOYSA-N
XLogP0.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine?
The IUPAC name of 5,5-difluoro-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine (CID 164709206) is 5,5-difluoro-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 5,5-difluoro-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine?
The canonical SMILES for 5,5-difluoro-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine is CSC1=NCC(F)(F)CN1.
What is the InChIKey of 5,5-difluoro-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine?
The InChIKey is JUMDAVOVUKXWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2S/c1-10-4-8-2-5(6,7)3-9-4/h2-3H2,1H3,(H,8,9).
What are the key properties of 5,5-difluoro-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine?
5,5-difluoro-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine has a molecular weight of 166.20 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-methylsulfanyl-4,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 164709206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).