3-(3-methylcyclohexyl)-4-[[2-[[3-(3-methylcyclohexyl)-2,6-dihydro-1H-1,3,5-triazin-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,6-dihydro-1H-1,3,5-triazine

C28H44N6S2 — CID 142560576

IUPAC3-(3-methylcyclohexyl)-4-[[2-[[3-(3-methylcyclohexyl)-2,6-dihydro-1H-1,3,5-triazin-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,6-dihydro-1H-1,3,5-triazine
SMILESCC1CCCC(N2CNCN=C2SCc2ccccc2CSC2=NCNCN2C2CCCC(C)C2)C1
InChIInChI=1S/C28H44N6S2/c1-21-7-5-11-25(13-21)33-19-29-17-31-27(33)35-15-23-9-3-4-10-24(23)16-36-28-32-18-30-20-34(28)26-12-6-8-22(2)14-26/h3-4,9-10,21-22,25-26,29-30H,5-8,11-20H2,1-2H3
InChIKeyTVWCEGZJAJBZJO-UHFFFAOYSA-N
MW528.84 g/mol
LogP5.66
Rot. Bonds6

About 3-(3-methylcyclohexyl)-4-[[2-[[3-(3-methylcyclohexyl)-2,6-dihydro-1H-1,3,5-triazin-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,6-dihydro-1H-1,3,5-triazine

3-(3-methylcyclohexyl)-4-[[2-[[3-(3-methylcyclohexyl)-2,6-dihydro-1H-1,3,5-triazin-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,6-dihydro-1H-1,3,5-triazine (PubChem CID 142560576) has the molecular formula C28H44N6S2 and a molecular weight of 528.84 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)-4-[[2-[[3-(3-methylcyclohexyl)-2,6-dihydro-1H-1,3,5-triazin-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,6-dihydro-1H-1,3,5-triazine.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)-4-[[2-[[3-(3-methylcyclohexyl)-2,6-dihydro-1H-1,3,5-triazin-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,6-dihydro-1H-1,3,5-triazine
PubChem CID142560576
Molecular FormulaC28H44N6S2
Molecular Weight528.84 g/mol
Exact Mass528.31
IUPAC Name3-(3-methylcyclohexyl)-4-[[2-[[3-(3-methylcyclohexyl)-2,6-dihydro-1H-1,3,5-triazin-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,6-dihydro-1H-1,3,5-triazine
SMILESCC1CCCC(N2CNCN=C2SCc2ccccc2CSC2=NCNCN2C2CCCC(C)C2)C1
InChIInChI=1S/C28H44N6S2/c1-21-7-5-11-25(13-21)33-19-29-17-31-27(33)35-15-23-9-3-4-10-24(23)16-36-28-32-18-30-20-34(28)26-12-6-8-22(2)14-26/h3-4,9-10,21-22,25-26,29-30H,5-8,11-20H2,1-2H3
InChIKeyTVWCEGZJAJBZJO-UHFFFAOYSA-N
XLogP5.66
TPSA55.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.84
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(3-methylcyclohexyl)-4-[[2-[[3-(3-methylcyclohexyl)-2,6-dihydro-1H-1,3,5-triazin-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,6-dihydro-1H-1,3,5-triazine with MolForge

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Related Compounds

Pseudourea, 1,3-dicyclohexyl-2-(3-phenylpropyl)-2-thio-, hydrobromide
CID 203821
3-(cyclohexylmethyl)-6-[[2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-4-fluorophenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 138574487
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-6-[[2-[[3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 138574586
3-[2-[3-(trifluoromethyl)phenyl]ethyl]-4-[[2-[[3-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,6-dihydro-1H-1,3,5-triazin-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,6-dihydro-1H-1,3,5-triazine
CID 155011735
3-(2-cyclopropylethyl)-6-[[2-[[3-(cyclopropylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-4-fluorophenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 155019873
3-[2-(3,4-difluorophenyl)ethyl]-6-[[2-[[3-[2-(3,4-difluorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 166047514
3-[2-[3-(trifluoromethyl)phenyl]ethyl]-6-[[2-[[3-[2-[3-(trifluoromethyl)phenyl]ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 166047516
3-phenylpropyl N,N'-dicyclohexylcarbamimidothioate
CID 203822
6-[[4-bromo-2-[[3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(2-cyclohexylethyl)-2,4-dihydro-1H-1,3,5-triazine
CID 138574515
3-[2-(2,5-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(2,5-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 138574594
3-[2-(4-bromo-5-methylcyclohexa-1,3-dien-1-yl)ethyl]-6-[[2-[[3-[2-(4-methylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 138574596
3-[2-(3,4-dimethylphenyl)ethyl]-6-[[2-[[3-[2-(3,4-dimethylphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 138574598

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexyl)-4-[[2-[[3-(3-methylcyclohexyl)-2,6-dihydro-1H-1,3,5-triazin-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,6-dihydro-1H-1,3,5-triazine?
The IUPAC name of 3-(3-methylcyclohexyl)-4-[[2-[[3-(3-methylcyclohexyl)-2,6-dihydro-1H-1,3,5-triazin-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,6-dihydro-1H-1,3,5-triazine (CID 142560576) is 3-(3-methylcyclohexyl)-4-[[2-[[3-(3-methylcyclohexyl)-2,6-dihydro-1H-1,3,5-triazin-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,6-dihydro-1H-1,3,5-triazine.
What is the SMILES notation for 3-(3-methylcyclohexyl)-4-[[2-[[3-(3-methylcyclohexyl)-2,6-dihydro-1H-1,3,5-triazin-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,6-dihydro-1H-1,3,5-triazine?
The canonical SMILES for 3-(3-methylcyclohexyl)-4-[[2-[[3-(3-methylcyclohexyl)-2,6-dihydro-1H-1,3,5-triazin-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,6-dihydro-1H-1,3,5-triazine is CC1CCCC(N2CNCN=C2SCc2ccccc2CSC2=NCNCN2C2CCCC(C)C2)C1.
What is the InChIKey of 3-(3-methylcyclohexyl)-4-[[2-[[3-(3-methylcyclohexyl)-2,6-dihydro-1H-1,3,5-triazin-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,6-dihydro-1H-1,3,5-triazine?
The InChIKey is TVWCEGZJAJBZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N6S2/c1-21-7-5-11-25(13-21)33-19-29-17-31-27(33)35-15-23-9-3-4-10-24(23)16-36-28-32-18-30-20-34(28)26-12-6-8-22(2)14-26/h3-4,9-10,21-22,25-26,29-30H,5-8,11-20H2,1-2H3.
What are the key properties of 3-(3-methylcyclohexyl)-4-[[2-[[3-(3-methylcyclohexyl)-2,6-dihydro-1H-1,3,5-triazin-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,6-dihydro-1H-1,3,5-triazine?
3-(3-methylcyclohexyl)-4-[[2-[[3-(3-methylcyclohexyl)-2,6-dihydro-1H-1,3,5-triazin-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,6-dihydro-1H-1,3,5-triazine has a molecular weight of 528.84 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)-4-[[2-[[3-(3-methylcyclohexyl)-2,6-dihydro-1H-1,3,5-triazin-4-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,6-dihydro-1H-1,3,5-triazine is sourced from PubChem (CID 142560576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).