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

C11H7Cl2FN2S — CID 66070952

IUPAC4,6-dichloro-2-[(4-fluorophenyl)sulfanylmethyl]pyrimidine
SMILESFc1ccc(SCc2nc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C11H7Cl2FN2S/c12-9-5-10(13)16-11(15-9)6-17-8-3-1-7(14)2-4-8/h1-5H,6H2
InChIKeyWMHCVQGXUJCUGZ-UHFFFAOYSA-N
MW289.16 g/mol
LogP4.21
Rot. Bonds3

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

4,6-dichloro-2-[(4-fluorophenyl)sulfanylmethyl]pyrimidine (PubChem CID 66070952) has the molecular formula C11H7Cl2FN2S and a molecular weight of 289.16 g/mol. Its IUPAC name is 4,6-dichloro-2-[(4-fluorophenyl)sulfanylmethyl]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(4-fluorophenyl)sulfanylmethyl]pyrimidine
PubChem CID66070952
Molecular FormulaC11H7Cl2FN2S
Molecular Weight289.16 g/mol
Exact Mass287.97
IUPAC Name4,6-dichloro-2-[(4-fluorophenyl)sulfanylmethyl]pyrimidine
SMILESFc1ccc(SCc2nc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C11H7Cl2FN2S/c12-9-5-10(13)16-11(15-9)6-17-8-3-1-7(14)2-4-8/h1-5H,6H2
InChIKeyWMHCVQGXUJCUGZ-UHFFFAOYSA-N
XLogP4.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(4-fluorophenyl)sulfanylmethyl]pyrimidine?
The IUPAC name of 4,6-dichloro-2-[(4-fluorophenyl)sulfanylmethyl]pyrimidine (CID 66070952) is 4,6-dichloro-2-[(4-fluorophenyl)sulfanylmethyl]pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(4-fluorophenyl)sulfanylmethyl]pyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(4-fluorophenyl)sulfanylmethyl]pyrimidine is Fc1ccc(SCc2nc(Cl)cc(Cl)n2)cc1.
What is the InChIKey of 4,6-dichloro-2-[(4-fluorophenyl)sulfanylmethyl]pyrimidine?
The InChIKey is WMHCVQGXUJCUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2S/c12-9-5-10(13)16-11(15-9)6-17-8-3-1-7(14)2-4-8/h1-5H,6H2.
What are the key properties of 4,6-dichloro-2-[(4-fluorophenyl)sulfanylmethyl]pyrimidine?
4,6-dichloro-2-[(4-fluorophenyl)sulfanylmethyl]pyrimidine has a molecular weight of 289.16 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(4-fluorophenyl)sulfanylmethyl]pyrimidine is sourced from PubChem (CID 66070952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).