4-pyrimidin-2-ylthiomorpholine

C8H11N3S — CID 868189

IUPAC4-pyrimidin-2-ylthiomorpholine
SMILESc1cnc(N2CCSCC2)nc1
InChIInChI=1S/C8H11N3S/c1-2-9-8(10-3-1)11-4-6-12-7-5-11/h1-3H,4-7H2
InChIKeyNOGBNEIHMYECHH-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.03
Rot. Bonds1

About 4-pyrimidin-2-ylthiomorpholine

4-pyrimidin-2-ylthiomorpholine (PubChem CID 868189) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 4-pyrimidin-2-ylthiomorpholine.

Molecular Properties

Compound Name4-pyrimidin-2-ylthiomorpholine
PubChem CID868189
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name4-pyrimidin-2-ylthiomorpholine
SMILESc1cnc(N2CCSCC2)nc1
InChIInChI=1S/C8H11N3S/c1-2-9-8(10-3-1)11-4-6-12-7-5-11/h1-3H,4-7H2
InChIKeyNOGBNEIHMYECHH-UHFFFAOYSA-N
XLogP1.03
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-pyrimidin-2-ylthiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-ylthiomorpholine?
The IUPAC name of 4-pyrimidin-2-ylthiomorpholine (CID 868189) is 4-pyrimidin-2-ylthiomorpholine.
What is the SMILES notation for 4-pyrimidin-2-ylthiomorpholine?
The canonical SMILES for 4-pyrimidin-2-ylthiomorpholine is c1cnc(N2CCSCC2)nc1.
What is the InChIKey of 4-pyrimidin-2-ylthiomorpholine?
The InChIKey is NOGBNEIHMYECHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-2-9-8(10-3-1)11-4-6-12-7-5-11/h1-3H,4-7H2.
What are the key properties of 4-pyrimidin-2-ylthiomorpholine?
4-pyrimidin-2-ylthiomorpholine has a molecular weight of 181.26 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-ylthiomorpholine is sourced from PubChem (CID 868189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).