4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine

C11H6Cl2F2N2S — CID 80550431

IUPAC4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine
SMILESFc1ccccc1SCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C11H6Cl2F2N2S/c12-10-9(15)11(13)17-8(16-10)5-18-7-4-2-1-3-6(7)14/h1-4H,5H2
InChIKeyYDHSOBXFBWASLO-UHFFFAOYSA-N
MW307.15 g/mol
LogP4.35
Rot. Bonds3

About 4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine

4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine (PubChem CID 80550431) has the molecular formula C11H6Cl2F2N2S and a molecular weight of 307.15 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine
PubChem CID80550431
Molecular FormulaC11H6Cl2F2N2S
Molecular Weight307.15 g/mol
Exact Mass305.96
IUPAC Name4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine
SMILESFc1ccccc1SCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C11H6Cl2F2N2S/c12-10-9(15)11(13)17-8(16-10)5-18-7-4-2-1-3-6(7)14/h1-4H,5H2
InChIKeyYDHSOBXFBWASLO-UHFFFAOYSA-N
XLogP4.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine (CID 80550431) is 4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine is Fc1ccccc1SCc1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine?
The InChIKey is YDHSOBXFBWASLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F2N2S/c12-10-9(15)11(13)17-8(16-10)5-18-7-4-2-1-3-6(7)14/h1-4H,5H2.
What are the key properties of 4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine?
4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine has a molecular weight of 307.15 g/mol, XLogP of 4.35, 3 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-[(2-fluorophenyl)sulfanylmethyl]pyrimidine is sourced from PubChem (CID 80550431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).