5-iodo-4-pyrazin-2-ylsulfanylpyrimidine

C8H5IN4S — CID 66319398

IUPAC5-iodo-4-pyrazin-2-ylsulfanylpyrimidine
SMILESIc1cncnc1Sc1cnccn1
InChIInChI=1S/C8H5IN4S/c9-6-3-11-5-13-8(6)14-7-4-10-1-2-12-7/h1-5H
InChIKeyPPCMSOCGWLSEKJ-UHFFFAOYSA-N
MW316.13 g/mol
LogP2.02
Rot. Bonds2

About 5-iodo-4-pyrazin-2-ylsulfanylpyrimidine

5-iodo-4-pyrazin-2-ylsulfanylpyrimidine (PubChem CID 66319398) has the molecular formula C8H5IN4S and a molecular weight of 316.13 g/mol. Its IUPAC name is 5-iodo-4-pyrazin-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Name5-iodo-4-pyrazin-2-ylsulfanylpyrimidine
PubChem CID66319398
Molecular FormulaC8H5IN4S
Molecular Weight316.13 g/mol
Exact Mass315.93
IUPAC Name5-iodo-4-pyrazin-2-ylsulfanylpyrimidine
SMILESIc1cncnc1Sc1cnccn1
InChIInChI=1S/C8H5IN4S/c9-6-3-11-5-13-8(6)14-7-4-10-1-2-12-7/h1-5H
InChIKeyPPCMSOCGWLSEKJ-UHFFFAOYSA-N
XLogP2.02
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-iodo-4-pyrazin-2-ylsulfanylpyrimidine 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 5-iodo-4-pyrazin-2-ylsulfanylpyrimidine?
The IUPAC name of 5-iodo-4-pyrazin-2-ylsulfanylpyrimidine (CID 66319398) is 5-iodo-4-pyrazin-2-ylsulfanylpyrimidine.
What is the SMILES notation for 5-iodo-4-pyrazin-2-ylsulfanylpyrimidine?
The canonical SMILES for 5-iodo-4-pyrazin-2-ylsulfanylpyrimidine is Ic1cncnc1Sc1cnccn1.
What is the InChIKey of 5-iodo-4-pyrazin-2-ylsulfanylpyrimidine?
The InChIKey is PPCMSOCGWLSEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN4S/c9-6-3-11-5-13-8(6)14-7-4-10-1-2-12-7/h1-5H.
What are the key properties of 5-iodo-4-pyrazin-2-ylsulfanylpyrimidine?
5-iodo-4-pyrazin-2-ylsulfanylpyrimidine has a molecular weight of 316.13 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-pyrazin-2-ylsulfanylpyrimidine is sourced from PubChem (CID 66319398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).