N-[(4-fluoropiperidin-4-yl)methyl]-2-methylsulfanylpyrimidin-4-amine

C11H17FN4S — CID 166600470

IUPACN-[(4-fluoropiperidin-4-yl)methyl]-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nccc(NCC2(F)CCNCC2)n1
InChIInChI=1S/C11H17FN4S/c1-17-10-14-5-2-9(16-10)15-8-11(12)3-6-13-7-4-11/h2,5,13H,3-4,6-8H2,1H3,(H,14,15,16)
InChIKeyLFQWBGXBZBKSPM-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.70
Rot. Bonds4

About N-[(4-fluoropiperidin-4-yl)methyl]-2-methylsulfanylpyrimidin-4-amine

N-[(4-fluoropiperidin-4-yl)methyl]-2-methylsulfanylpyrimidin-4-amine (PubChem CID 166600470) has the molecular formula C11H17FN4S and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(4-fluoropiperidin-4-yl)methyl]-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluoropiperidin-4-yl)methyl]-2-methylsulfanylpyrimidin-4-amine
PubChem CID166600470
Molecular FormulaC11H17FN4S
Molecular Weight256.35 g/mol
Exact Mass256.12
IUPAC NameN-[(4-fluoropiperidin-4-yl)methyl]-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nccc(NCC2(F)CCNCC2)n1
InChIInChI=1S/C11H17FN4S/c1-17-10-14-5-2-9(16-10)15-8-11(12)3-6-13-7-4-11/h2,5,13H,3-4,6-8H2,1H3,(H,14,15,16)
InChIKeyLFQWBGXBZBKSPM-UHFFFAOYSA-N
XLogP1.70
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoropiperidin-4-yl)methyl]-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-[(4-fluoropiperidin-4-yl)methyl]-2-methylsulfanylpyrimidin-4-amine (CID 166600470) is N-[(4-fluoropiperidin-4-yl)methyl]-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-fluoropiperidin-4-yl)methyl]-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-[(4-fluoropiperidin-4-yl)methyl]-2-methylsulfanylpyrimidin-4-amine is CSc1nccc(NCC2(F)CCNCC2)n1.
What is the InChIKey of N-[(4-fluoropiperidin-4-yl)methyl]-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is LFQWBGXBZBKSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4S/c1-17-10-14-5-2-9(16-10)15-8-11(12)3-6-13-7-4-11/h2,5,13H,3-4,6-8H2,1H3,(H,14,15,16).
What are the key properties of N-[(4-fluoropiperidin-4-yl)methyl]-2-methylsulfanylpyrimidin-4-amine?
N-[(4-fluoropiperidin-4-yl)methyl]-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 256.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoropiperidin-4-yl)methyl]-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 166600470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).