4,6-dichloro-5-fluoro-2-(methylsulfanylmethyl)pyrimidine

C6H5Cl2FN2S — CID 80550183

IUPAC4,6-dichloro-5-fluoro-2-(methylsulfanylmethyl)pyrimidine
SMILESCSCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C6H5Cl2FN2S/c1-12-2-3-10-5(7)4(9)6(8)11-3/h2H2,1H3
InChIKeyGCTCSJLDECWKFV-UHFFFAOYSA-N
MW227.09 g/mol
LogP2.79
Rot. Bonds2

About 4,6-dichloro-5-fluoro-2-(methylsulfanylmethyl)pyrimidine

4,6-dichloro-5-fluoro-2-(methylsulfanylmethyl)pyrimidine (PubChem CID 80550183) has the molecular formula C6H5Cl2FN2S and a molecular weight of 227.09 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(methylsulfanylmethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(methylsulfanylmethyl)pyrimidine
PubChem CID80550183
Molecular FormulaC6H5Cl2FN2S
Molecular Weight227.09 g/mol
Exact Mass225.95
IUPAC Name4,6-dichloro-5-fluoro-2-(methylsulfanylmethyl)pyrimidine
SMILESCSCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C6H5Cl2FN2S/c1-12-2-3-10-5(7)4(9)6(8)11-3/h2H2,1H3
InChIKeyGCTCSJLDECWKFV-UHFFFAOYSA-N
XLogP2.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-dichloro-5-fluoro-2-(methylsulfanylmethyl)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

4,6-Dichloro-2,5-dimethylpyrimidine
CID 237013
4,6-Dichloro-5-fluoro-2-methylpyrimidine
CID 13731033
4,6-Dichloro-5-fluoro-2-(methylsulfanyl)pyrimidine
CID 22378277
4,6-Dichloro-2-ethyl-5-fluoropyrimidine
CID 55264154
6-Chloro-5-fluoro-2-methylpyrimidin-4-amine
CID 55283624
4,5,6-Trichloro-2-ethylpyrimidine
CID 249454
2,4,6-Trichloro-5-methylsulfanyl-pyrimidine
CID 12225544
4-Amino-6-chloro-2-methylthiopyrimidine-5-carbaldehyde
CID 129798848
4,6-Dichloro-2-methylpyrimidine-5-carbothialdehyde
CID 129871573
4,5,6-Trichloro-2-(fluoromethyl)pyrimidine
CID 25019464
4,6-Dichloro-2-cyclopropyl-5-fluoropyrimidine
CID 56773418
4,6-Dichloro-5-fluoro-2-(fluoromethyl)pyrimidine
CID 58000547

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-(methylsulfanylmethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(methylsulfanylmethyl)pyrimidine (CID 80550183) is 4,6-dichloro-5-fluoro-2-(methylsulfanylmethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(methylsulfanylmethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(methylsulfanylmethyl)pyrimidine is CSCc1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(methylsulfanylmethyl)pyrimidine?
The InChIKey is GCTCSJLDECWKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2FN2S/c1-12-2-3-10-5(7)4(9)6(8)11-3/h2H2,1H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(methylsulfanylmethyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(methylsulfanylmethyl)pyrimidine has a molecular weight of 227.09 g/mol, XLogP of 2.79, 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-(methylsulfanylmethyl)pyrimidine is sourced from PubChem (CID 80550183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).