4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine

C15H20N4S2 — CID 166190130

IUPAC4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine
SMILESCc1ccnc(SCCCCCSc2nccc(C)n2)n1
InChIInChI=1S/C15H20N4S2/c1-12-6-8-16-14(18-12)20-10-4-3-5-11-21-15-17-9-7-13(2)19-15/h6-9H,3-5,10-11H2,1-2H3
InChIKeyGGHASXQSRYTPDQ-UHFFFAOYSA-N
MW320.49 g/mol
LogP3.94
Rot. Bonds8

About 4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine

4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine (PubChem CID 166190130) has the molecular formula C15H20N4S2 and a molecular weight of 320.49 g/mol. Its IUPAC name is 4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine
PubChem CID166190130
Molecular FormulaC15H20N4S2
Molecular Weight320.49 g/mol
Exact Mass320.11
IUPAC Name4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine
SMILESCc1ccnc(SCCCCCSc2nccc(C)n2)n1
InChIInChI=1S/C15H20N4S2/c1-12-6-8-16-14(18-12)20-10-4-3-5-11-21-15-17-9-7-13(2)19-15/h6-9H,3-5,10-11H2,1-2H3
InChIKeyGGHASXQSRYTPDQ-UHFFFAOYSA-N
XLogP3.94
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 53.94
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 4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine?
The IUPAC name of 4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine (CID 166190130) is 4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine?
The canonical SMILES for 4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine is Cc1ccnc(SCCCCCSc2nccc(C)n2)n1.
What is the InChIKey of 4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine?
The InChIKey is GGHASXQSRYTPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S2/c1-12-6-8-16-14(18-12)20-10-4-3-5-11-21-15-17-9-7-13(2)19-15/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of 4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine?
4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine has a molecular weight of 320.49 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine is sourced from PubChem (CID 166190130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).