2-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]cyclopentan-1-amine

C12H19N3S — CID 79576693

IUPAC2-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]cyclopentan-1-amine
SMILESCc1cnc(SCCC2CCCC2N)nc1
InChIInChI=1S/C12H19N3S/c1-9-7-14-12(15-8-9)16-6-5-10-3-2-4-11(10)13/h7-8,10-11H,2-6,13H2,1H3
InChIKeyFPMXWJYGCIGMGG-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.39
Rot. Bonds4

About 2-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]cyclopentan-1-amine

2-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]cyclopentan-1-amine (PubChem CID 79576693) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]cyclopentan-1-amine
PubChem CID79576693
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]cyclopentan-1-amine
SMILESCc1cnc(SCCC2CCCC2N)nc1
InChIInChI=1S/C12H19N3S/c1-9-7-14-12(15-8-9)16-6-5-10-3-2-4-11(10)13/h7-8,10-11H,2-6,13H2,1H3
InChIKeyFPMXWJYGCIGMGG-UHFFFAOYSA-N
XLogP2.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]cyclopentan-1-amine?
The IUPAC name of 2-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]cyclopentan-1-amine (CID 79576693) is 2-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]cyclopentan-1-amine?
The canonical SMILES for 2-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]cyclopentan-1-amine is Cc1cnc(SCCC2CCCC2N)nc1.
What is the InChIKey of 2-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]cyclopentan-1-amine?
The InChIKey is FPMXWJYGCIGMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-9-7-14-12(15-8-9)16-6-5-10-3-2-4-11(10)13/h7-8,10-11H,2-6,13H2,1H3.
What are the key properties of 2-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]cyclopentan-1-amine?
2-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]cyclopentan-1-amine has a molecular weight of 237.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]cyclopentan-1-amine is sourced from PubChem (CID 79576693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).