6-[(1R)-1-[(3-methylphenyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

C19H21N5S — CID 25408804

IUPAC6-[(1R)-1-[(3-methylphenyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(CS[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)c1
InChIInChI=1S/C19H21N5S/c1-13-7-6-8-15(11-13)12-25-14(2)17-22-18(20)24-19(23-17)21-16-9-4-3-5-10-16/h3-11,14H,12H2,1-2H3,(H3,20,21,22,23,24)/t14-/m1/s1
InChIKeyRTZCEQSVIKCOMJ-CQSZACIVSA-N
MW351.48 g/mol
LogP4.50
Rot. Bonds6

About 6-[(1R)-1-[(3-methylphenyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-[(1R)-1-[(3-methylphenyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 25408804) has the molecular formula C19H21N5S and a molecular weight of 351.48 g/mol. Its IUPAC name is 6-[(1R)-1-[(3-methylphenyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(1R)-1-[(3-methylphenyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID25408804
Molecular FormulaC19H21N5S
Molecular Weight351.48 g/mol
Exact Mass351.15
IUPAC Name6-[(1R)-1-[(3-methylphenyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(CS[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)c1
InChIInChI=1S/C19H21N5S/c1-13-7-6-8-15(11-13)12-25-14(2)17-22-18(20)24-19(23-17)21-16-9-4-3-5-10-16/h3-11,14H,12H2,1-2H3,(H3,20,21,22,23,24)/t14-/m1/s1
InChIKeyRTZCEQSVIKCOMJ-CQSZACIVSA-N
XLogP4.50
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 71934402
6-[(1S)-1-[(6-chloro-3-pyridinyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 98677477
6-[1-[2-(2,5-dimethylphenoxy)ethylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
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CID 41016265
6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 51927587
6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 18126026
2-[(1R)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
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CID 42926588
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CID 25337628
2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 42926593
2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-difluorophenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-[(3-methylphenyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(1R)-1-[(3-methylphenyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 25408804) is 6-[(1R)-1-[(3-methylphenyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(1R)-1-[(3-methylphenyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(1R)-1-[(3-methylphenyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is Cc1cccc(CS[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)c1.
What is the InChIKey of 6-[(1R)-1-[(3-methylphenyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RTZCEQSVIKCOMJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N5S/c1-13-7-6-8-15(11-13)12-25-14(2)17-22-18(20)24-19(23-17)21-16-9-4-3-5-10-16/h3-11,14H,12H2,1-2H3,(H3,20,21,22,23,24)/t14-/m1/s1.
What are the key properties of 6-[(1R)-1-[(3-methylphenyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-[(1R)-1-[(3-methylphenyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 351.48 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-[(3-methylphenyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 25408804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).