6-(2-methylpiperidin-1-yl)-1H-pyrimidine-4-thione

C10H15N3S — CID 50743317

IUPAC6-(2-methylpiperidin-1-yl)-1H-pyrimidine-4-thione
SMILESCC1CCCCN1c1cc(=S)nc[nH]1
InChIInChI=1S/C10H15N3S/c1-8-4-2-3-5-13(8)9-6-10(14)12-7-11-9/h6-8H,2-5H2,1H3,(H,11,12,14)
InChIKeySAQGGYNKJAPKHR-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.52
Rot. Bonds1

About 6-(2-methylpiperidin-1-yl)-1H-pyrimidine-4-thione

6-(2-methylpiperidin-1-yl)-1H-pyrimidine-4-thione (PubChem CID 50743317) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 6-(2-methylpiperidin-1-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(2-methylpiperidin-1-yl)-1H-pyrimidine-4-thione
PubChem CID50743317
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name6-(2-methylpiperidin-1-yl)-1H-pyrimidine-4-thione
SMILESCC1CCCCN1c1cc(=S)nc[nH]1
InChIInChI=1S/C10H15N3S/c1-8-4-2-3-5-13(8)9-6-10(14)12-7-11-9/h6-8H,2-5H2,1H3,(H,11,12,14)
InChIKeySAQGGYNKJAPKHR-UHFFFAOYSA-N
XLogP2.52
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpiperidin-1-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(2-methylpiperidin-1-yl)-1H-pyrimidine-4-thione (CID 50743317) is 6-(2-methylpiperidin-1-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(2-methylpiperidin-1-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(2-methylpiperidin-1-yl)-1H-pyrimidine-4-thione is CC1CCCCN1c1cc(=S)nc[nH]1.
What is the InChIKey of 6-(2-methylpiperidin-1-yl)-1H-pyrimidine-4-thione?
The InChIKey is SAQGGYNKJAPKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-8-4-2-3-5-13(8)9-6-10(14)12-7-11-9/h6-8H,2-5H2,1H3,(H,11,12,14).
What are the key properties of 6-(2-methylpiperidin-1-yl)-1H-pyrimidine-4-thione?
6-(2-methylpiperidin-1-yl)-1H-pyrimidine-4-thione has a molecular weight of 209.32 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpiperidin-1-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 50743317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).