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

C30H36N6S2 — CID 142560582

IUPAC3-(2-phenylethyl)-6-[[2-[[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
SMILESc1ccc(CCN2CN=C(SCc3ccccc3CSC3=NCN(CCc4ccccc4)CN3)NC2)cc1
InChIInChI=1S/C30H36N6S2/c1-3-9-25(10-4-1)15-17-35-21-31-29(32-22-35)37-19-27-13-7-8-14-28(27)20-38-30-33-23-36(24-34-30)18-16-26-11-5-2-6-12-26/h1-14H,15-24H2,(H,31,32)(H,33,34)
InChIKeyYQNMYVJUIJNMJI-UHFFFAOYSA-N
MW544.79 g/mol
LogP4.99
Rot. Bonds10

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

3-(2-phenylethyl)-6-[[2-[[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine (PubChem CID 142560582) has the molecular formula C30H36N6S2 and a molecular weight of 544.79 g/mol. Its IUPAC name is 3-(2-phenylethyl)-6-[[2-[[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine.

Molecular Properties

Compound Name3-(2-phenylethyl)-6-[[2-[[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
PubChem CID142560582
Molecular FormulaC30H36N6S2
Molecular Weight544.79 g/mol
Exact Mass544.24
IUPAC Name3-(2-phenylethyl)-6-[[2-[[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
SMILESc1ccc(CCN2CN=C(SCc3ccccc3CSC3=NCN(CCc4ccccc4)CN3)NC2)cc1
InChIInChI=1S/C30H36N6S2/c1-3-9-25(10-4-1)15-17-35-21-31-29(32-22-35)37-19-27-13-7-8-14-28(27)20-38-30-33-23-36(24-34-30)18-16-26-11-5-2-6-12-26/h1-14H,15-24H2,(H,31,32)(H,33,34)
InChIKeyYQNMYVJUIJNMJI-UHFFFAOYSA-N
XLogP4.99
TPSA55.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.79
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-benzylsulfanyl-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine
CID 129312146
[2-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate;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;(3,4-difluorophenyl)methanamine;dihydrochloride
CID 167589893
[2-[[3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-5-(trifluoromethyl)phenyl]methyl N,N'-dimethylcarbamimidothioate
CID 138574591
2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
CID 51062702
6-[(2,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine
CID 129312296
6-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine
CID 129275084
3-(cyclopropylmethyl)-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 138560858
N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine
CID 664281
1-(2-phenylethyl)-1,3,5-triazinane
CID 126970923
[4-bromo-2-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate;6-[[4-bromo-2-[[3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-2,4-dihydro-1H-1,3,5-triazine;methane;2-(4-methylphenyl)ethanamine;dihydrobromide
CID 157190049
4,6,7-trimethyl-N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
CID 1397245
3-(2-phenylethyl)-1,2,4,6,7,8-hexahydroquinazolin-5-one
CID 5039234

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-6-[[2-[[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The IUPAC name of 3-(2-phenylethyl)-6-[[2-[[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine (CID 142560582) is 3-(2-phenylethyl)-6-[[2-[[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine.
What is the SMILES notation for 3-(2-phenylethyl)-6-[[2-[[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The canonical SMILES for 3-(2-phenylethyl)-6-[[2-[[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine is c1ccc(CCN2CN=C(SCc3ccccc3CSC3=NCN(CCc4ccccc4)CN3)NC2)cc1.
What is the InChIKey of 3-(2-phenylethyl)-6-[[2-[[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The InChIKey is YQNMYVJUIJNMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6S2/c1-3-9-25(10-4-1)15-17-35-21-31-29(32-22-35)37-19-27-13-7-8-14-28(27)20-38-30-33-23-36(24-34-30)18-16-26-11-5-2-6-12-26/h1-14H,15-24H2,(H,31,32)(H,33,34).
What are the key properties of 3-(2-phenylethyl)-6-[[2-[[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
3-(2-phenylethyl)-6-[[2-[[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine has a molecular weight of 544.79 g/mol, XLogP of 4.99, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-6-[[2-[[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine is sourced from PubChem (CID 142560582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).