5-methyl-4-(trisulfanyl)pyrimidine

C5H6N2S3 — CID 135296184

IUPAC5-methyl-4-(trisulfanyl)pyrimidine
SMILESCc1cncnc1SSS
InChIInChI=1S/C5H6N2S3/c1-4-2-6-3-7-5(4)9-10-8/h2-3,8H,1H3
InChIKeyNOACQXHJQNAJQO-UHFFFAOYSA-N
MW190.32 g/mol
LogP2.37
Rot. Bonds2

About 5-methyl-4-(trisulfanyl)pyrimidine

5-methyl-4-(trisulfanyl)pyrimidine (PubChem CID 135296184) has the molecular formula C5H6N2S3 and a molecular weight of 190.32 g/mol. Its IUPAC name is 5-methyl-4-(trisulfanyl)pyrimidine.

Molecular Properties

Compound Name5-methyl-4-(trisulfanyl)pyrimidine
PubChem CID135296184
Molecular FormulaC5H6N2S3
Molecular Weight190.32 g/mol
Exact Mass189.97
IUPAC Name5-methyl-4-(trisulfanyl)pyrimidine
SMILESCc1cncnc1SSS
InChIInChI=1S/C5H6N2S3/c1-4-2-6-3-7-5(4)9-10-8/h2-3,8H,1H3
InChIKeyNOACQXHJQNAJQO-UHFFFAOYSA-N
XLogP2.37
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(trisulfanyl)pyrimidine?
The IUPAC name of 5-methyl-4-(trisulfanyl)pyrimidine (CID 135296184) is 5-methyl-4-(trisulfanyl)pyrimidine.
What is the SMILES notation for 5-methyl-4-(trisulfanyl)pyrimidine?
The canonical SMILES for 5-methyl-4-(trisulfanyl)pyrimidine is Cc1cncnc1SSS.
What is the InChIKey of 5-methyl-4-(trisulfanyl)pyrimidine?
The InChIKey is NOACQXHJQNAJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S3/c1-4-2-6-3-7-5(4)9-10-8/h2-3,8H,1H3.
What are the key properties of 5-methyl-4-(trisulfanyl)pyrimidine?
5-methyl-4-(trisulfanyl)pyrimidine has a molecular weight of 190.32 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(trisulfanyl)pyrimidine is sourced from PubChem (CID 135296184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).