6-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine

C14H24N4S — CID 80826076

IUPAC6-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(N2CCC(C)CC2C)nc(SC)n1
InChIInChI=1S/C14H24N4S/c1-5-15-12-9-13(17-14(16-12)19-4)18-7-6-10(2)8-11(18)3/h9-11H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyGBFKYKGKBTVEQO-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.26
Rot. Bonds4

About 6-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine

6-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80826076) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 6-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80826076
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name6-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(N2CCC(C)CC2C)nc(SC)n1
InChIInChI=1S/C14H24N4S/c1-5-15-12-9-13(17-14(16-12)19-4)18-7-6-10(2)8-11(18)3/h9-11H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyGBFKYKGKBTVEQO-UHFFFAOYSA-N
XLogP3.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine (CID 80826076) is 6-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine is CCNc1cc(N2CCC(C)CC2C)nc(SC)n1.
What is the InChIKey of 6-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is GBFKYKGKBTVEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-5-15-12-9-13(17-14(16-12)19-4)18-7-6-10(2)8-11(18)3/h9-11H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 6-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
6-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 280.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80826076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).