4-(4-fluoropiperidin-1-yl)-5,6-dimethyl-2-methylsulfanylpyrimidine

C12H18FN3S — CID 171323563

IUPAC4-(4-fluoropiperidin-1-yl)-5,6-dimethyl-2-methylsulfanylpyrimidine
SMILESCSc1nc(C)c(C)c(N2CCC(F)CC2)n1
InChIInChI=1S/C12H18FN3S/c1-8-9(2)14-12(17-3)15-11(8)16-6-4-10(13)5-7-16/h10H,4-7H2,1-3H3
InChIKeyXAMSLSSGTQZQRK-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.75
Rot. Bonds2

About 4-(4-fluoropiperidin-1-yl)-5,6-dimethyl-2-methylsulfanylpyrimidine

4-(4-fluoropiperidin-1-yl)-5,6-dimethyl-2-methylsulfanylpyrimidine (PubChem CID 171323563) has the molecular formula C12H18FN3S and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(4-fluoropiperidin-1-yl)-5,6-dimethyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(4-fluoropiperidin-1-yl)-5,6-dimethyl-2-methylsulfanylpyrimidine
PubChem CID171323563
Molecular FormulaC12H18FN3S
Molecular Weight255.36 g/mol
Exact Mass255.12
IUPAC Name4-(4-fluoropiperidin-1-yl)-5,6-dimethyl-2-methylsulfanylpyrimidine
SMILESCSc1nc(C)c(C)c(N2CCC(F)CC2)n1
InChIInChI=1S/C12H18FN3S/c1-8-9(2)14-12(17-3)15-11(8)16-6-4-10(13)5-7-16/h10H,4-7H2,1-3H3
InChIKeyXAMSLSSGTQZQRK-UHFFFAOYSA-N
XLogP2.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoropiperidin-1-yl)-5,6-dimethyl-2-methylsulfanylpyrimidine?
The IUPAC name of 4-(4-fluoropiperidin-1-yl)-5,6-dimethyl-2-methylsulfanylpyrimidine (CID 171323563) is 4-(4-fluoropiperidin-1-yl)-5,6-dimethyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(4-fluoropiperidin-1-yl)-5,6-dimethyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-(4-fluoropiperidin-1-yl)-5,6-dimethyl-2-methylsulfanylpyrimidine is CSc1nc(C)c(C)c(N2CCC(F)CC2)n1.
What is the InChIKey of 4-(4-fluoropiperidin-1-yl)-5,6-dimethyl-2-methylsulfanylpyrimidine?
The InChIKey is XAMSLSSGTQZQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3S/c1-8-9(2)14-12(17-3)15-11(8)16-6-4-10(13)5-7-16/h10H,4-7H2,1-3H3.
What are the key properties of 4-(4-fluoropiperidin-1-yl)-5,6-dimethyl-2-methylsulfanylpyrimidine?
4-(4-fluoropiperidin-1-yl)-5,6-dimethyl-2-methylsulfanylpyrimidine has a molecular weight of 255.36 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoropiperidin-1-yl)-5,6-dimethyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 171323563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).