6-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine

C15H24N4S — CID 80819682

IUPAC6-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(N2CCCC2C2CCCC2)nc(SC)n1
InChIInChI=1S/C15H24N4S/c1-16-13-10-14(18-15(17-13)20-2)19-9-5-8-12(19)11-6-3-4-7-11/h10-12H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyFAZBUFWBUJBWSJ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.40
Rot. Bonds4

About 6-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine

6-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80819682) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 6-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80819682
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name6-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(N2CCCC2C2CCCC2)nc(SC)n1
InChIInChI=1S/C15H24N4S/c1-16-13-10-14(18-15(17-13)20-2)19-9-5-8-12(19)11-6-3-4-7-11/h10-12H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyFAZBUFWBUJBWSJ-UHFFFAOYSA-N
XLogP3.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 80819682) is 6-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine is CNc1cc(N2CCCC2C2CCCC2)nc(SC)n1.
What is the InChIKey of 6-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is FAZBUFWBUJBWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-16-13-10-14(18-15(17-13)20-2)19-9-5-8-12(19)11-6-3-4-7-11/h10-12H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
6-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 292.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopentylpyrrolidin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80819682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).