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

C11H11FN4S — CID 115417377

IUPAC2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
SMILESCc1nc(Sc2cc(F)ncn2)nc(C)c1C
InChIInChI=1S/C11H11FN4S/c1-6-7(2)15-11(16-8(6)3)17-10-4-9(12)13-5-14-10/h4-5H,1-3H3
InChIKeyOCNMDHLIKQMFLJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.48
Rot. Bonds2

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

2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine (PubChem CID 115417377) has the molecular formula C11H11FN4S and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine.

Molecular Properties

Compound Name2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
PubChem CID115417377
Molecular FormulaC11H11FN4S
Molecular Weight250.30 g/mol
Exact Mass250.07
IUPAC Name2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
SMILESCc1nc(Sc2cc(F)ncn2)nc(C)c1C
InChIInChI=1S/C11H11FN4S/c1-6-7(2)15-11(16-8(6)3)17-10-4-9(12)13-5-14-10/h4-5H,1-3H3
InChIKeyOCNMDHLIKQMFLJ-UHFFFAOYSA-N
XLogP2.48
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine?
The IUPAC name of 2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine (CID 115417377) is 2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine.
What is the SMILES notation for 2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine?
The canonical SMILES for 2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine is Cc1nc(Sc2cc(F)ncn2)nc(C)c1C.
What is the InChIKey of 2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine?
The InChIKey is OCNMDHLIKQMFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4S/c1-6-7(2)15-11(16-8(6)3)17-10-4-9(12)13-5-14-10/h4-5H,1-3H3.
What are the key properties of 2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine?
2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine has a molecular weight of 250.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoropyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine is sourced from PubChem (CID 115417377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).