4-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethylsulfanyl]pyrimidine

C11H12N4S2 — CID 15843050

IUPAC4-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethylsulfanyl]pyrimidine
SMILESCc1ccnc(SCSc2nccc(C)n2)n1
InChIInChI=1S/C11H12N4S2/c1-8-3-5-12-10(14-8)16-7-17-11-13-6-4-9(2)15-11/h3-6H,7H2,1-2H3
InChIKeyWCYWWDNQKHCVGR-UHFFFAOYSA-N
MW264.38 g/mol
LogP2.73
Rot. Bonds4

About 4-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethylsulfanyl]pyrimidine

4-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethylsulfanyl]pyrimidine (PubChem CID 15843050) has the molecular formula C11H12N4S2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethylsulfanyl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethylsulfanyl]pyrimidine
PubChem CID15843050
Molecular FormulaC11H12N4S2
Molecular Weight264.38 g/mol
Exact Mass264.05
IUPAC Name4-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethylsulfanyl]pyrimidine
SMILESCc1ccnc(SCSc2nccc(C)n2)n1
InChIInChI=1S/C11H12N4S2/c1-8-3-5-12-10(14-8)16-7-17-11-13-6-4-9(2)15-11/h3-6H,7H2,1-2H3
InChIKeyWCYWWDNQKHCVGR-UHFFFAOYSA-N
XLogP2.73
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethylsulfanyl]pyrimidine?
The IUPAC name of 4-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethylsulfanyl]pyrimidine (CID 15843050) is 4-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethylsulfanyl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethylsulfanyl]pyrimidine?
The canonical SMILES for 4-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethylsulfanyl]pyrimidine is Cc1ccnc(SCSc2nccc(C)n2)n1.
What is the InChIKey of 4-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethylsulfanyl]pyrimidine?
The InChIKey is WCYWWDNQKHCVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S2/c1-8-3-5-12-10(14-8)16-7-17-11-13-6-4-9(2)15-11/h3-6H,7H2,1-2H3.
What are the key properties of 4-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethylsulfanyl]pyrimidine?
4-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethylsulfanyl]pyrimidine has a molecular weight of 264.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethylsulfanyl]pyrimidine is sourced from PubChem (CID 15843050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).