2-(1H-imidazol-2-yl)-4-methylsulfanylpyrimidine

C8H8N4S — CID 141034507

IUPAC2-(1H-imidazol-2-yl)-4-methylsulfanylpyrimidine
SMILESCSc1ccnc(-c2ncc[nH]2)n1
InChIInChI=1S/C8H8N4S/c1-13-6-2-3-9-8(12-6)7-10-4-5-11-7/h2-5H,1H3,(H,10,11)
InChIKeyFGOLEXFJOFRHJB-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.59
Rot. Bonds2

About 2-(1H-imidazol-2-yl)-4-methylsulfanylpyrimidine

2-(1H-imidazol-2-yl)-4-methylsulfanylpyrimidine (PubChem CID 141034507) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-4-methylsulfanylpyrimidine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-4-methylsulfanylpyrimidine
PubChem CID141034507
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name2-(1H-imidazol-2-yl)-4-methylsulfanylpyrimidine
SMILESCSc1ccnc(-c2ncc[nH]2)n1
InChIInChI=1S/C8H8N4S/c1-13-6-2-3-9-8(12-6)7-10-4-5-11-7/h2-5H,1H3,(H,10,11)
InChIKeyFGOLEXFJOFRHJB-UHFFFAOYSA-N
XLogP1.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-4-methylsulfanylpyrimidine?
The IUPAC name of 2-(1H-imidazol-2-yl)-4-methylsulfanylpyrimidine (CID 141034507) is 2-(1H-imidazol-2-yl)-4-methylsulfanylpyrimidine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-4-methylsulfanylpyrimidine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-4-methylsulfanylpyrimidine is CSc1ccnc(-c2ncc[nH]2)n1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-4-methylsulfanylpyrimidine?
The InChIKey is FGOLEXFJOFRHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-13-6-2-3-9-8(12-6)7-10-4-5-11-7/h2-5H,1H3,(H,10,11).
What are the key properties of 2-(1H-imidazol-2-yl)-4-methylsulfanylpyrimidine?
2-(1H-imidazol-2-yl)-4-methylsulfanylpyrimidine has a molecular weight of 192.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-4-methylsulfanylpyrimidine is sourced from PubChem (CID 141034507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).