4-(disulfanyl)-5-methylpyrimidine

C5H6N2S2 — CID 134420830

IUPAC4-(disulfanyl)-5-methylpyrimidine
SMILESCc1cncnc1SS
InChIInChI=1S/C5H6N2S2/c1-4-2-6-3-7-5(4)9-8/h2-3,8H,1H3
InChIKeyMCFSYTUGXXMSHB-UHFFFAOYSA-N
MW158.25 g/mol
LogP1.72
Rot. Bonds1

About 4-(disulfanyl)-5-methylpyrimidine

4-(disulfanyl)-5-methylpyrimidine (PubChem CID 134420830) has the molecular formula C5H6N2S2 and a molecular weight of 158.25 g/mol. Its IUPAC name is 4-(disulfanyl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-(disulfanyl)-5-methylpyrimidine
PubChem CID134420830
Molecular FormulaC5H6N2S2
Molecular Weight158.25 g/mol
Exact Mass158.00
IUPAC Name4-(disulfanyl)-5-methylpyrimidine
SMILESCc1cncnc1SS
InChIInChI=1S/C5H6N2S2/c1-4-2-6-3-7-5(4)9-8/h2-3,8H,1H3
InChIKeyMCFSYTUGXXMSHB-UHFFFAOYSA-N
XLogP1.72
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-(disulfanyl)-5-methylpyrimidine?
The IUPAC name of 4-(disulfanyl)-5-methylpyrimidine (CID 134420830) is 4-(disulfanyl)-5-methylpyrimidine.
What is the SMILES notation for 4-(disulfanyl)-5-methylpyrimidine?
The canonical SMILES for 4-(disulfanyl)-5-methylpyrimidine is Cc1cncnc1SS.
What is the InChIKey of 4-(disulfanyl)-5-methylpyrimidine?
The InChIKey is MCFSYTUGXXMSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S2/c1-4-2-6-3-7-5(4)9-8/h2-3,8H,1H3.
What are the key properties of 4-(disulfanyl)-5-methylpyrimidine?
4-(disulfanyl)-5-methylpyrimidine has a molecular weight of 158.25 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(disulfanyl)-5-methylpyrimidine is sourced from PubChem (CID 134420830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).