5-(7-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylsulfanylpyrimidine

C16H17FN2S — CID 18662976

IUPAC5-(7-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylsulfanylpyrimidine
SMILESCSc1ncncc1C1c2c(F)cccc2CC1(C)C
InChIInChI=1S/C16H17FN2S/c1-16(2)7-10-5-4-6-12(17)13(10)14(16)11-8-18-9-19-15(11)20-3/h4-6,8-9,14H,7H2,1-3H3
InChIKeyLKFPWIRZNLUTKK-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.05
Rot. Bonds2

About 5-(7-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylsulfanylpyrimidine

5-(7-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylsulfanylpyrimidine (PubChem CID 18662976) has the molecular formula C16H17FN2S and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-(7-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylsulfanylpyrimidine.

Molecular Properties

Compound Name5-(7-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylsulfanylpyrimidine
PubChem CID18662976
Molecular FormulaC16H17FN2S
Molecular Weight288.39 g/mol
Exact Mass288.11
IUPAC Name5-(7-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylsulfanylpyrimidine
SMILESCSc1ncncc1C1c2c(F)cccc2CC1(C)C
InChIInChI=1S/C16H17FN2S/c1-16(2)7-10-5-4-6-12(17)13(10)14(16)11-8-18-9-19-15(11)20-3/h4-6,8-9,14H,7H2,1-3H3
InChIKeyLKFPWIRZNLUTKK-UHFFFAOYSA-N
XLogP4.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylsulfanylpyrimidine?
The IUPAC name of 5-(7-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylsulfanylpyrimidine (CID 18662976) is 5-(7-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylsulfanylpyrimidine.
What is the SMILES notation for 5-(7-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylsulfanylpyrimidine?
The canonical SMILES for 5-(7-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylsulfanylpyrimidine is CSc1ncncc1C1c2c(F)cccc2CC1(C)C.
What is the InChIKey of 5-(7-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylsulfanylpyrimidine?
The InChIKey is LKFPWIRZNLUTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2S/c1-16(2)7-10-5-4-6-12(17)13(10)14(16)11-8-18-9-19-15(11)20-3/h4-6,8-9,14H,7H2,1-3H3.
What are the key properties of 5-(7-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylsulfanylpyrimidine?
5-(7-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylsulfanylpyrimidine has a molecular weight of 288.39 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)-4-methylsulfanylpyrimidine is sourced from PubChem (CID 18662976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).