4-(1-methylimidazol-2-yl)sulfanylpyrimidine

C8H8N4S — CID 86123849

IUPAC4-(1-methylimidazol-2-yl)sulfanylpyrimidine
SMILESCn1ccnc1Sc1ccncn1
InChIInChI=1S/C8H8N4S/c1-12-5-4-10-8(12)13-7-2-3-9-6-11-7/h2-6H,1H3
InChIKeyCLVDEROUOSEHMX-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.36
Rot. Bonds2

About 4-(1-methylimidazol-2-yl)sulfanylpyrimidine

4-(1-methylimidazol-2-yl)sulfanylpyrimidine (PubChem CID 86123849) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)sulfanylpyrimidine.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)sulfanylpyrimidine
PubChem CID86123849
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name4-(1-methylimidazol-2-yl)sulfanylpyrimidine
SMILESCn1ccnc1Sc1ccncn1
InChIInChI=1S/C8H8N4S/c1-12-5-4-10-8(12)13-7-2-3-9-6-11-7/h2-6H,1H3
InChIKeyCLVDEROUOSEHMX-UHFFFAOYSA-N
XLogP1.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(1-methylimidazol-2-yl)sulfanylpyrimidine 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-(1-methylimidazol-2-yl)sulfanylpyrimidine?
The IUPAC name of 4-(1-methylimidazol-2-yl)sulfanylpyrimidine (CID 86123849) is 4-(1-methylimidazol-2-yl)sulfanylpyrimidine.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)sulfanylpyrimidine?
The canonical SMILES for 4-(1-methylimidazol-2-yl)sulfanylpyrimidine is Cn1ccnc1Sc1ccncn1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)sulfanylpyrimidine?
The InChIKey is CLVDEROUOSEHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-12-5-4-10-8(12)13-7-2-3-9-6-11-7/h2-6H,1H3.
What are the key properties of 4-(1-methylimidazol-2-yl)sulfanylpyrimidine?
4-(1-methylimidazol-2-yl)sulfanylpyrimidine has a molecular weight of 192.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)sulfanylpyrimidine is sourced from PubChem (CID 86123849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).