4,6-dichloro-5-fluoro-2-propan-2-ylsulfanylpyrimidine

C7H7Cl2FN2S — CID 165439312

IUPAC4,6-dichloro-5-fluoro-2-propan-2-ylsulfanylpyrimidine
SMILESCC(C)Sc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C7H7Cl2FN2S/c1-3(2)13-7-11-5(8)4(10)6(9)12-7/h3H,1-2H3
InChIKeyMDZUVQZBSNNDQH-UHFFFAOYSA-N
MW241.12 g/mol
LogP3.42
Rot. Bonds2

About 4,6-dichloro-5-fluoro-2-propan-2-ylsulfanylpyrimidine

4,6-dichloro-5-fluoro-2-propan-2-ylsulfanylpyrimidine (PubChem CID 165439312) has the molecular formula C7H7Cl2FN2S and a molecular weight of 241.12 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-propan-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-propan-2-ylsulfanylpyrimidine
PubChem CID165439312
Molecular FormulaC7H7Cl2FN2S
Molecular Weight241.12 g/mol
Exact Mass239.97
IUPAC Name4,6-dichloro-5-fluoro-2-propan-2-ylsulfanylpyrimidine
SMILESCC(C)Sc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C7H7Cl2FN2S/c1-3(2)13-7-11-5(8)4(10)6(9)12-7/h3H,1-2H3
InChIKeyMDZUVQZBSNNDQH-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dichloro-2-(propylthio)pyrimidin-5-amine
CID 11436336
5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine
CID 261187
4,6-Dichloro-5-methyl-2-(methylthio)pyrimidine
CID 22002465
4,6-Dichloro-5-fluoro-2-(methylsulfanyl)pyrimidine
CID 22378277
4,6-Dichloro-5-iodo-2-(methylsulfanyl)pyrimidine
CID 59405055
4,6-Dichloro-2-(propylsulfanyl)pyrimidine
CID 78358301
4,6-Dichloro-5-fluoro-2-methanesulfonylpyrimidine
CID 86616257
4-Chloro-6-fluoro-2-(methylsulfanyl)pyrimidine
CID 134202157
2-Ethylthio-4-chloro-5-fluoro-pyrimidine
CID 13530697
2,4,6-Trichloro-5-methylsulfanyl-pyrimidine
CID 12225544
Pyrimidine, 4-chloro-6-fluoro-2-(methylthio)-5-(trifluoromethyl)-
CID 14151821
5-Chloro-4,6-difluoro-2-methylsulfanylpyrimidine
CID 118554469

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-propan-2-ylsulfanylpyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-propan-2-ylsulfanylpyrimidine (CID 165439312) is 4,6-dichloro-5-fluoro-2-propan-2-ylsulfanylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-propan-2-ylsulfanylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-propan-2-ylsulfanylpyrimidine is CC(C)Sc1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-propan-2-ylsulfanylpyrimidine?
The InChIKey is MDZUVQZBSNNDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2FN2S/c1-3(2)13-7-11-5(8)4(10)6(9)12-7/h3H,1-2H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-propan-2-ylsulfanylpyrimidine?
4,6-dichloro-5-fluoro-2-propan-2-ylsulfanylpyrimidine has a molecular weight of 241.12 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-propan-2-ylsulfanylpyrimidine is sourced from PubChem (CID 165439312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).