4-(5-iodopyrimidin-4-yl)thiomorpholine

C8H10IN3S — CID 65419103

IUPAC4-(5-iodopyrimidin-4-yl)thiomorpholine
SMILESIc1cncnc1N1CCSCC1
InChIInChI=1S/C8H10IN3S/c9-7-5-10-6-11-8(7)12-1-3-13-4-2-12/h5-6H,1-4H2
InChIKeyZMKXEJKXBBTROD-UHFFFAOYSA-N
MW307.16 g/mol
LogP1.63
Rot. Bonds1

About 4-(5-iodopyrimidin-4-yl)thiomorpholine

4-(5-iodopyrimidin-4-yl)thiomorpholine (PubChem CID 65419103) has the molecular formula C8H10IN3S and a molecular weight of 307.16 g/mol. Its IUPAC name is 4-(5-iodopyrimidin-4-yl)thiomorpholine.

Molecular Properties

Compound Name4-(5-iodopyrimidin-4-yl)thiomorpholine
PubChem CID65419103
Molecular FormulaC8H10IN3S
Molecular Weight307.16 g/mol
Exact Mass306.96
IUPAC Name4-(5-iodopyrimidin-4-yl)thiomorpholine
SMILESIc1cncnc1N1CCSCC1
InChIInChI=1S/C8H10IN3S/c9-7-5-10-6-11-8(7)12-1-3-13-4-2-12/h5-6H,1-4H2
InChIKeyZMKXEJKXBBTROD-UHFFFAOYSA-N
XLogP1.63
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(5-iodopyrimidin-4-yl)thiomorpholine 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-(5-iodopyrimidin-4-yl)thiomorpholine?
The IUPAC name of 4-(5-iodopyrimidin-4-yl)thiomorpholine (CID 65419103) is 4-(5-iodopyrimidin-4-yl)thiomorpholine.
What is the SMILES notation for 4-(5-iodopyrimidin-4-yl)thiomorpholine?
The canonical SMILES for 4-(5-iodopyrimidin-4-yl)thiomorpholine is Ic1cncnc1N1CCSCC1.
What is the InChIKey of 4-(5-iodopyrimidin-4-yl)thiomorpholine?
The InChIKey is ZMKXEJKXBBTROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3S/c9-7-5-10-6-11-8(7)12-1-3-13-4-2-12/h5-6H,1-4H2.
What are the key properties of 4-(5-iodopyrimidin-4-yl)thiomorpholine?
4-(5-iodopyrimidin-4-yl)thiomorpholine has a molecular weight of 307.16 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodopyrimidin-4-yl)thiomorpholine is sourced from PubChem (CID 65419103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).