N-(2-pyrimidin-2-ylsulfanylethyl)oxan-4-amine

C11H17N3OS — CID 63098672

IUPACN-(2-pyrimidin-2-ylsulfanylethyl)oxan-4-amine
SMILESc1cnc(SCCNC2CCOCC2)nc1
InChIInChI=1S/C11H17N3OS/c1-4-13-11(14-5-1)16-9-6-12-10-2-7-15-8-3-10/h1,4-5,10,12H,2-3,6-9H2
InChIKeyWBXRXPKQIOPJAM-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.34
Rot. Bonds5

About N-(2-pyrimidin-2-ylsulfanylethyl)oxan-4-amine

N-(2-pyrimidin-2-ylsulfanylethyl)oxan-4-amine (PubChem CID 63098672) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(2-pyrimidin-2-ylsulfanylethyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-pyrimidin-2-ylsulfanylethyl)oxan-4-amine
PubChem CID63098672
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-(2-pyrimidin-2-ylsulfanylethyl)oxan-4-amine
SMILESc1cnc(SCCNC2CCOCC2)nc1
InChIInChI=1S/C11H17N3OS/c1-4-13-11(14-5-1)16-9-6-12-10-2-7-15-8-3-10/h1,4-5,10,12H,2-3,6-9H2
InChIKeyWBXRXPKQIOPJAM-UHFFFAOYSA-N
XLogP1.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrimidin-2-ylsulfanylethyl)oxan-4-amine?
The IUPAC name of N-(2-pyrimidin-2-ylsulfanylethyl)oxan-4-amine (CID 63098672) is N-(2-pyrimidin-2-ylsulfanylethyl)oxan-4-amine.
What is the SMILES notation for N-(2-pyrimidin-2-ylsulfanylethyl)oxan-4-amine?
The canonical SMILES for N-(2-pyrimidin-2-ylsulfanylethyl)oxan-4-amine is c1cnc(SCCNC2CCOCC2)nc1.
What is the InChIKey of N-(2-pyrimidin-2-ylsulfanylethyl)oxan-4-amine?
The InChIKey is WBXRXPKQIOPJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-4-13-11(14-5-1)16-9-6-12-10-2-7-15-8-3-10/h1,4-5,10,12H,2-3,6-9H2.
What are the key properties of N-(2-pyrimidin-2-ylsulfanylethyl)oxan-4-amine?
N-(2-pyrimidin-2-ylsulfanylethyl)oxan-4-amine has a molecular weight of 239.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrimidin-2-ylsulfanylethyl)oxan-4-amine is sourced from PubChem (CID 63098672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).