2-(1,1-difluoroprop-1-en-2-ylsulfanyl)pyrimidine

C7H6F2N2S — CID 86257925

IUPAC2-(1,1-difluoroprop-1-en-2-ylsulfanyl)pyrimidine
SMILESCC(Sc1ncccn1)=C(F)F
InChIInChI=1S/C7H6F2N2S/c1-5(6(8)9)12-7-10-3-2-4-11-7/h2-4H,1H3
InChIKeyYSVUEHSCLWIAMF-UHFFFAOYSA-N
MW188.20 g/mol
LogP2.70
Rot. Bonds2

About 2-(1,1-difluoroprop-1-en-2-ylsulfanyl)pyrimidine

2-(1,1-difluoroprop-1-en-2-ylsulfanyl)pyrimidine (PubChem CID 86257925) has the molecular formula C7H6F2N2S and a molecular weight of 188.20 g/mol. Its IUPAC name is 2-(1,1-difluoroprop-1-en-2-ylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2-(1,1-difluoroprop-1-en-2-ylsulfanyl)pyrimidine
PubChem CID86257925
Molecular FormulaC7H6F2N2S
Molecular Weight188.20 g/mol
Exact Mass188.02
IUPAC Name2-(1,1-difluoroprop-1-en-2-ylsulfanyl)pyrimidine
SMILESCC(Sc1ncccn1)=C(F)F
InChIInChI=1S/C7H6F2N2S/c1-5(6(8)9)12-7-10-3-2-4-11-7/h2-4H,1H3
InChIKeyYSVUEHSCLWIAMF-UHFFFAOYSA-N
XLogP2.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1,1-difluoroprop-1-en-2-ylsulfanyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrimidine
CID 9260
2-Fluoropyrimidine
CID 141643
2,4-Difluoropyrimidine
CID 137716
4-(Methylsulfanyl)pyrimidin-2-amine
CID 238736
4-Chloro-2-methylthiopyrimidine
CID 97113
2-(Methylthio)pyrimidin-4-amine
CID 259225
2-(Methylsulfanyl)pyrimidine
CID 522772
2-Dimethylaminopyrimidine
CID 521717
4-Iodo-2-(methylthio)pyrimidine
CID 3858901
2-(Ethylsulfanyl)pyrimidine
CID 12764701
2-(Methylsulphonyl)pyrimidine
CID 13289225
2-(Trifluoromethyl)pyrimidine
CID 14007756

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroprop-1-en-2-ylsulfanyl)pyrimidine?
The IUPAC name of 2-(1,1-difluoroprop-1-en-2-ylsulfanyl)pyrimidine (CID 86257925) is 2-(1,1-difluoroprop-1-en-2-ylsulfanyl)pyrimidine.
What is the SMILES notation for 2-(1,1-difluoroprop-1-en-2-ylsulfanyl)pyrimidine?
The canonical SMILES for 2-(1,1-difluoroprop-1-en-2-ylsulfanyl)pyrimidine is CC(Sc1ncccn1)=C(F)F.
What is the InChIKey of 2-(1,1-difluoroprop-1-en-2-ylsulfanyl)pyrimidine?
The InChIKey is YSVUEHSCLWIAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2S/c1-5(6(8)9)12-7-10-3-2-4-11-7/h2-4H,1H3.
What are the key properties of 2-(1,1-difluoroprop-1-en-2-ylsulfanyl)pyrimidine?
2-(1,1-difluoroprop-1-en-2-ylsulfanyl)pyrimidine has a molecular weight of 188.20 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroprop-1-en-2-ylsulfanyl)pyrimidine is sourced from PubChem (CID 86257925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).