6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

C17H16FN5S — CID 51927587

IUPAC6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](Sc1ccccc1F)c1nc(N)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H16FN5S/c1-11(24-14-10-6-5-9-13(14)18)15-21-16(19)23-17(22-15)20-12-7-3-2-4-8-12/h2-11H,1H3,(H3,19,20,21,22,23)/t11-/m1/s1
InChIKeyCHDSEYLRNLQBHF-LLVKDONJSA-N
MW341.42 g/mol
LogP4.19
Rot. Bonds5

About 6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 51927587) has the molecular formula C17H16FN5S and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID51927587
Molecular FormulaC17H16FN5S
Molecular Weight341.42 g/mol
Exact Mass341.11
IUPAC Name6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](Sc1ccccc1F)c1nc(N)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H16FN5S/c1-11(24-14-10-6-5-9-13(14)18)15-21-16(19)23-17(22-15)20-12-7-3-2-4-8-12/h2-11H,1H3,(H3,19,20,21,22,23)/t11-/m1/s1
InChIKeyCHDSEYLRNLQBHF-LLVKDONJSA-N
XLogP4.19
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-difluorophenyl)propanamide
CID 55466217
6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 18126026
2-N-phenyl-6-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 9454040
6-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 51280095
2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-3-methylquinazolin-4-one
CID 42891703
6-[(1S)-1-(3-phenoxypropylsulfanyl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 41016265
6-[1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 71934402
6-[(1R)-1-[(3-methylphenyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 25408804
2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one
CID 55459196
6-[(1S)-1-[(6-chloro-3-pyridinyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 98677477
6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 42925988
6-[(1S)-1-(4-bromoanilino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 51927587) is 6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is C[C@@H](Sc1ccccc1F)c1nc(N)nc(Nc2ccccc2)n1.
What is the InChIKey of 6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CHDSEYLRNLQBHF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16FN5S/c1-11(24-14-10-6-5-9-13(14)18)15-21-16(19)23-17(22-15)20-12-7-3-2-4-8-12/h2-11H,1H3,(H3,19,20,21,22,23)/t11-/m1/s1.
What are the key properties of 6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 341.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 51927587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).