2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidine

C7H8F2N2S — CID 911696

IUPAC2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(SC(F)F)n1
InChIInChI=1S/C7H8F2N2S/c1-4-3-5(2)11-7(10-4)12-6(8)9/h3,6H,1-2H3
InChIKeyRYDMJZBQXDNFOA-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.41
Rot. Bonds2

About 2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidine

2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidine (PubChem CID 911696) has the molecular formula C7H8F2N2S and a molecular weight of 190.22 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidine
PubChem CID911696
Molecular FormulaC7H8F2N2S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(SC(F)F)n1
InChIInChI=1S/C7H8F2N2S/c1-4-3-5(2)11-7(10-4)12-6(8)9/h3,6H,1-2H3
InChIKeyRYDMJZBQXDNFOA-UHFFFAOYSA-N
XLogP2.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4,6-dimethyl pyrimidine
CID 13021
2-Chloro-4,6-dimethylpyrimidine
CID 20550
4-Methyl-6-(trifluoromethyl)-2-pyrimidinamine
CID 600769
2-[(4,6-Dimethylpyrimidin-2-yl)disulfanyl]-4,6-dimethylpyrimidine
CID 736679
4,6-Dimethylpyrimidin-2-ylthiourea
CID 747500
4,6-Dimethyl-2-(methylsulfanyl)pyrimidine
CID 12343174
(4,5-Dihydro-thiazol-2-yl)-(4,6-dimethyl-pyrimidin-2-yl)-amine
CID 899477
2-({[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}sulfanyl)-4,6-dimethylpyrimidine
CID 802777
Acetic acid, ((4-methyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-
CID 610353
2-Fluoro-4,6-dimethylpyrimidine
CID 15738775
4,6-Dimethylpyrimidine-2-sulfonamide
CID 22244676
2-(4,6-Dimethylpyrimidin-2-yl)sulfanylethanol
CID 587836

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidine?
The IUPAC name of 2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidine (CID 911696) is 2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidine?
The canonical SMILES for 2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidine is Cc1cc(C)nc(SC(F)F)n1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidine?
The InChIKey is RYDMJZBQXDNFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2S/c1-4-3-5(2)11-7(10-4)12-6(8)9/h3,6H,1-2H3.
What are the key properties of 2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidine?
2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidine has a molecular weight of 190.22 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidine is sourced from PubChem (CID 911696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).