2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine

C11H10ClFN4S — CID 79075599

IUPAC2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
SMILESCc1nc(Sc2nc(Cl)ncc2F)nc(C)c1C
InChIInChI=1S/C11H10ClFN4S/c1-5-6(2)15-11(16-7(5)3)18-9-8(13)4-14-10(12)17-9/h4H,1-3H3
InChIKeyIVEVZOUWQJZLKT-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.14
Rot. Bonds2

About 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine

2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine (PubChem CID 79075599) has the molecular formula C11H10ClFN4S and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine.

Molecular Properties

Compound Name2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
PubChem CID79075599
Molecular FormulaC11H10ClFN4S
Molecular Weight284.75 g/mol
Exact Mass284.03
IUPAC Name2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
SMILESCc1nc(Sc2nc(Cl)ncc2F)nc(C)c1C
InChIInChI=1S/C11H10ClFN4S/c1-5-6(2)15-11(16-7(5)3)18-9-8(13)4-14-10(12)17-9/h4H,1-3H3
InChIKeyIVEVZOUWQJZLKT-UHFFFAOYSA-N
XLogP3.14
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine?
The IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine (CID 79075599) is 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine.
What is the SMILES notation for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine?
The canonical SMILES for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine is Cc1nc(Sc2nc(Cl)ncc2F)nc(C)c1C.
What is the InChIKey of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine?
The InChIKey is IVEVZOUWQJZLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4S/c1-5-6(2)15-11(16-7(5)3)18-9-8(13)4-14-10(12)17-9/h4H,1-3H3.
What are the key properties of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine?
2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine has a molecular weight of 284.75 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine is sourced from PubChem (CID 79075599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).