2-[10-(4,6-dimethylpyrimidin-2-yl)sulfanyldecylsulfanyl]-4,6-dimethylpyrimidine

C22H34N4S2 — CID 3078953

IUPAC2-[10-(4,6-dimethylpyrimidin-2-yl)sulfanyldecylsulfanyl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(SCCCCCCCCCCSc2nc(C)cc(C)n2)n1
InChIInChI=1S/C22H34N4S2/c1-17-15-18(2)24-21(23-17)27-13-11-9-7-5-6-8-10-12-14-28-22-25-19(3)16-20(4)26-22/h15-16H,5-14H2,1-4H3
InChIKeyUUXIMURPTMJGHJ-UHFFFAOYSA-N
MW418.68 g/mol
LogP6.51
Rot. Bonds13

About 2-[10-(4,6-dimethylpyrimidin-2-yl)sulfanyldecylsulfanyl]-4,6-dimethylpyrimidine

2-[10-(4,6-dimethylpyrimidin-2-yl)sulfanyldecylsulfanyl]-4,6-dimethylpyrimidine (PubChem CID 3078953) has the molecular formula C22H34N4S2 and a molecular weight of 418.68 g/mol. Its IUPAC name is 2-[10-(4,6-dimethylpyrimidin-2-yl)sulfanyldecylsulfanyl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[10-(4,6-dimethylpyrimidin-2-yl)sulfanyldecylsulfanyl]-4,6-dimethylpyrimidine
PubChem CID3078953
Molecular FormulaC22H34N4S2
Molecular Weight418.68 g/mol
Exact Mass418.22
IUPAC Name2-[10-(4,6-dimethylpyrimidin-2-yl)sulfanyldecylsulfanyl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(SCCCCCCCCCCSc2nc(C)cc(C)n2)n1
InChIInChI=1S/C22H34N4S2/c1-17-15-18(2)24-21(23-17)27-13-11-9-7-5-6-8-10-12-14-28-22-25-19(3)16-20(4)26-22/h15-16H,5-14H2,1-4H3
InChIKeyUUXIMURPTMJGHJ-UHFFFAOYSA-N
XLogP6.51
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.68
LogP ≤ 56.51
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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Related Compounds

2-[(4,6-Dimethylpyrimidin-2-yl)disulfanyl]-4,6-dimethylpyrimidine
CID 736679
2-({[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}sulfanyl)-4,6-dimethylpyrimidine
CID 802777
Pyrimidine, 2,2'-(1,4-butanediylbis(thio))bis(4,6-dimethyl-
CID 203670
Pyrimidine, 2,2'-(1,3-propanediylbis(thio))bis(4,6-dimethyl-
CID 203669
4,6-Dimethyl-2-[(2-piperidin-1-ylethyl)thio]pyrimidine
CID 779100
Ammonium, (5-((4,6-dimethyl-2-pyrimidinyl)thio)pentyl)triethyl-, bromide
CID 56037
Pyrimidine, 2,2'-(1,6-hexanediylbis(thio))bis(4,6-dimethyl-
CID 203671
Pyrimidine, 4,6-dimethyl-2-((6-piperidinohexyl)thio)-
CID 3021601
Pyrimidine, 2,2'-(1,8-octanediylbis(thio))bis(4,6-dimethyl-
CID 13285545
4-Pyrimidinamine, 2,2'-(1,4-butanediylbis(thio))bis(6-methyl-
CID 13285559
{2-[(4,6-Dimethyl-2-pyrimidinyl)thio]ethyl}dimethylamine succinate
CID 747180
3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}propanoic acid
CID 1023953

Frequently Asked Questions

What is the IUPAC name of 2-[10-(4,6-dimethylpyrimidin-2-yl)sulfanyldecylsulfanyl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[10-(4,6-dimethylpyrimidin-2-yl)sulfanyldecylsulfanyl]-4,6-dimethylpyrimidine (CID 3078953) is 2-[10-(4,6-dimethylpyrimidin-2-yl)sulfanyldecylsulfanyl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[10-(4,6-dimethylpyrimidin-2-yl)sulfanyldecylsulfanyl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[10-(4,6-dimethylpyrimidin-2-yl)sulfanyldecylsulfanyl]-4,6-dimethylpyrimidine is Cc1cc(C)nc(SCCCCCCCCCCSc2nc(C)cc(C)n2)n1.
What is the InChIKey of 2-[10-(4,6-dimethylpyrimidin-2-yl)sulfanyldecylsulfanyl]-4,6-dimethylpyrimidine?
The InChIKey is UUXIMURPTMJGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4S2/c1-17-15-18(2)24-21(23-17)27-13-11-9-7-5-6-8-10-12-14-28-22-25-19(3)16-20(4)26-22/h15-16H,5-14H2,1-4H3.
What are the key properties of 2-[10-(4,6-dimethylpyrimidin-2-yl)sulfanyldecylsulfanyl]-4,6-dimethylpyrimidine?
2-[10-(4,6-dimethylpyrimidin-2-yl)sulfanyldecylsulfanyl]-4,6-dimethylpyrimidine has a molecular weight of 418.68 g/mol, XLogP of 6.51, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(4,6-dimethylpyrimidin-2-yl)sulfanyldecylsulfanyl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 3078953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).