2-pyrimidin-4-ylsulfanylethanamine

C6H9N3S — CID 58684040

IUPAC2-pyrimidin-4-ylsulfanylethanamine
SMILESNCCSc1ccncn1
InChIInChI=1S/C6H9N3S/c7-2-4-10-6-1-3-8-5-9-6/h1,3,5H,2,4,7H2
InChIKeyPLYDZUQUWHVFHY-UHFFFAOYSA-N
MW155.23 g/mol
LogP0.53
Rot. Bonds3

About 2-pyrimidin-4-ylsulfanylethanamine

2-pyrimidin-4-ylsulfanylethanamine (PubChem CID 58684040) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 2-pyrimidin-4-ylsulfanylethanamine.

Molecular Properties

Compound Name2-pyrimidin-4-ylsulfanylethanamine
PubChem CID58684040
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name2-pyrimidin-4-ylsulfanylethanamine
SMILESNCCSc1ccncn1
InChIInChI=1S/C6H9N3S/c7-2-4-10-6-1-3-8-5-9-6/h1,3,5H,2,4,7H2
InChIKeyPLYDZUQUWHVFHY-UHFFFAOYSA-N
XLogP0.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-4-ylsulfanylethanamine?
The IUPAC name of 2-pyrimidin-4-ylsulfanylethanamine (CID 58684040) is 2-pyrimidin-4-ylsulfanylethanamine.
What is the SMILES notation for 2-pyrimidin-4-ylsulfanylethanamine?
The canonical SMILES for 2-pyrimidin-4-ylsulfanylethanamine is NCCSc1ccncn1.
What is the InChIKey of 2-pyrimidin-4-ylsulfanylethanamine?
The InChIKey is PLYDZUQUWHVFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c7-2-4-10-6-1-3-8-5-9-6/h1,3,5H,2,4,7H2.
What are the key properties of 2-pyrimidin-4-ylsulfanylethanamine?
2-pyrimidin-4-ylsulfanylethanamine has a molecular weight of 155.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-4-ylsulfanylethanamine is sourced from PubChem (CID 58684040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).