6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine

C26H27N5S — CID 5050817

IUPAC6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Sc2nc(NC(C)c3ccccc3)nc(NC(C)c3ccccc3)n2)cc1
InChIInChI=1S/C26H27N5S/c1-18-14-16-23(17-15-18)32-26-30-24(27-19(2)21-10-6-4-7-11-21)29-25(31-26)28-20(3)22-12-8-5-9-13-22/h4-17,19-20H,1-3H3,(H2,27,28,29,30,31)
InChIKeyYKZPDTWVWJYUKV-UHFFFAOYSA-N
MW441.60 g/mol
LogP6.68
Rot. Bonds8

About 6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine

6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 5050817) has the molecular formula C26H27N5S and a molecular weight of 441.60 g/mol. Its IUPAC name is 6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID5050817
Molecular FormulaC26H27N5S
Molecular Weight441.60 g/mol
Exact Mass441.20
IUPAC Name6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Sc2nc(NC(C)c3ccccc3)nc(NC(C)c3ccccc3)n2)cc1
InChIInChI=1S/C26H27N5S/c1-18-14-16-23(17-15-18)32-26-30-24(27-19(2)21-10-6-4-7-11-21)29-25(31-26)28-20(3)22-12-8-5-9-13-22/h4-17,19-20H,1-3H3,(H2,27,28,29,30,31)
InChIKeyYKZPDTWVWJYUKV-UHFFFAOYSA-N
XLogP6.68
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.60
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 3767089
6-(4-methylphenyl)sulfanyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 19145707
2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 22999
4,6-difluoro-N-(1-phenylethyl)-1,3,5-triazin-2-amine
CID 19897292
6-bromo-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 116795404
4-N-(2,5-dimethylphenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916812
6-[(1S)-1-chloroethyl]-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 59879811
4,6-bis(diphenylphosphanyl)-N-[(1R)-1-phenylethyl]-1,3,5-triazin-2-amine
CID 44516135
4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134150531
4-ethoxy-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-1,3,5-triazin-2-amine
CID 80901930
4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine
CID 62958041
4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine
CID 80783257

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine (CID 5050817) is 6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine is Cc1ccc(Sc2nc(NC(C)c3ccccc3)nc(NC(C)c3ccccc3)n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YKZPDTWVWJYUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5S/c1-18-14-16-23(17-15-18)32-26-30-24(27-19(2)21-10-6-4-7-11-21)29-25(31-26)28-20(3)22-12-8-5-9-13-22/h4-17,19-20H,1-3H3,(H2,27,28,29,30,31).
What are the key properties of 6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine?
6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 441.60 g/mol, XLogP of 6.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 5050817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).