2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethylsulfanyl]-4,6-dimethylpyrimidine

C14H18N4S2 — CID 3126462

IUPAC2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethylsulfanyl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(SCCSc2nc(C)cc(C)n2)n1
InChIInChI=1S/C14H18N4S2/c1-9-7-10(2)16-13(15-9)19-5-6-20-14-17-11(3)8-12(4)18-14/h7-8H,5-6H2,1-4H3
InChIKeySMVKBSKAMJJBTP-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.38
Rot. Bonds5

About 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethylsulfanyl]-4,6-dimethylpyrimidine

2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethylsulfanyl]-4,6-dimethylpyrimidine (PubChem CID 3126462) has the molecular formula C14H18N4S2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethylsulfanyl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethylsulfanyl]-4,6-dimethylpyrimidine
PubChem CID3126462
Molecular FormulaC14H18N4S2
Molecular Weight306.46 g/mol
Exact Mass306.10
IUPAC Name2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethylsulfanyl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(SCCSc2nc(C)cc(C)n2)n1
InChIInChI=1S/C14H18N4S2/c1-9-7-10(2)16-13(15-9)19-5-6-20-14-17-11(3)8-12(4)18-14/h7-8H,5-6H2,1-4H3
InChIKeySMVKBSKAMJJBTP-UHFFFAOYSA-N
XLogP3.38
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethylsulfanyl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethylsulfanyl]-4,6-dimethylpyrimidine (CID 3126462) is 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethylsulfanyl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethylsulfanyl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethylsulfanyl]-4,6-dimethylpyrimidine is Cc1cc(C)nc(SCCSc2nc(C)cc(C)n2)n1.
What is the InChIKey of 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethylsulfanyl]-4,6-dimethylpyrimidine?
The InChIKey is SMVKBSKAMJJBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S2/c1-9-7-10(2)16-13(15-9)19-5-6-20-14-17-11(3)8-12(4)18-14/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethylsulfanyl]-4,6-dimethylpyrimidine?
2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethylsulfanyl]-4,6-dimethylpyrimidine has a molecular weight of 306.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethylsulfanyl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 3126462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).