4-(3-methyl-2H-imidazol-1-yl)-2-methylsulfanylpyrimidine

C9H12N4S — CID 159726836

IUPAC4-(3-methyl-2H-imidazol-1-yl)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(N2C=CN(C)C2)n1
InChIInChI=1S/C9H12N4S/c1-12-5-6-13(7-12)8-3-4-10-9(11-8)14-2/h3-6H,7H2,1-2H3
InChIKeyNASWRVHPUAGVTF-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.38
Rot. Bonds2

About 4-(3-methyl-2H-imidazol-1-yl)-2-methylsulfanylpyrimidine

4-(3-methyl-2H-imidazol-1-yl)-2-methylsulfanylpyrimidine (PubChem CID 159726836) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 4-(3-methyl-2H-imidazol-1-yl)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(3-methyl-2H-imidazol-1-yl)-2-methylsulfanylpyrimidine
PubChem CID159726836
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name4-(3-methyl-2H-imidazol-1-yl)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(N2C=CN(C)C2)n1
InChIInChI=1S/C9H12N4S/c1-12-5-6-13(7-12)8-3-4-10-9(11-8)14-2/h3-6H,7H2,1-2H3
InChIKeyNASWRVHPUAGVTF-UHFFFAOYSA-N
XLogP1.38
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2H-imidazol-1-yl)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-(3-methyl-2H-imidazol-1-yl)-2-methylsulfanylpyrimidine (CID 159726836) is 4-(3-methyl-2H-imidazol-1-yl)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(3-methyl-2H-imidazol-1-yl)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-(3-methyl-2H-imidazol-1-yl)-2-methylsulfanylpyrimidine is CSc1nccc(N2C=CN(C)C2)n1.
What is the InChIKey of 4-(3-methyl-2H-imidazol-1-yl)-2-methylsulfanylpyrimidine?
The InChIKey is NASWRVHPUAGVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-12-5-6-13(7-12)8-3-4-10-9(11-8)14-2/h3-6H,7H2,1-2H3.
What are the key properties of 4-(3-methyl-2H-imidazol-1-yl)-2-methylsulfanylpyrimidine?
4-(3-methyl-2H-imidazol-1-yl)-2-methylsulfanylpyrimidine has a molecular weight of 208.29 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2H-imidazol-1-yl)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 159726836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).