2-N-[1-(4-ethylsulfonylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine

C14H19N5O2S — CID 22965428

IUPAC2-N-[1-(4-ethylsulfonylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCS(=O)(=O)c1ccc(C(C)Nc2nc(C)nc(N)n2)cc1
InChIInChI=1S/C14H19N5O2S/c1-4-22(20,21)12-7-5-11(6-8-12)9(2)16-14-18-10(3)17-13(15)19-14/h5-9H,4H2,1-3H3,(H3,15,16,17,18,19)
InChIKeyFXJPNEMXRVITSN-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.73
Rot. Bonds5

About 2-N-[1-(4-ethylsulfonylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine

2-N-[1-(4-ethylsulfonylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 22965428) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-N-[1-(4-ethylsulfonylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(4-ethylsulfonylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID22965428
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-N-[1-(4-ethylsulfonylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCCS(=O)(=O)c1ccc(C(C)Nc2nc(C)nc(N)n2)cc1
InChIInChI=1S/C14H19N5O2S/c1-4-22(20,21)12-7-5-11(6-8-12)9(2)16-14-18-10(3)17-13(15)19-14/h5-9H,4H2,1-3H3,(H3,15,16,17,18,19)
InChIKeyFXJPNEMXRVITSN-UHFFFAOYSA-N
XLogP1.73
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[1-(4-ethylsulfanylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22965426
2-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22965421
N-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide
CID 22965457
4-ethylsulfonyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43689688
6-methyl-2-N-[1-(3-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 22965390
6-methyl-2-N-[1-(2-methylsulfonylphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 22965374
4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine
CID 94006047
4-[1-(4-ethylsulfonylanilino)ethyl]phenol
CID 43689686
4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80802339
(1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine
CID 129398374
4-N-[2-(4-methylphenyl)ethyl]-2-N-[(1S)-1-(4-nitrophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 69021654
N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60732152

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-ethylsulfonylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(4-ethylsulfonylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine (CID 22965428) is 2-N-[1-(4-ethylsulfonylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(4-ethylsulfonylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(4-ethylsulfonylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine is CCS(=O)(=O)c1ccc(C(C)Nc2nc(C)nc(N)n2)cc1.
What is the InChIKey of 2-N-[1-(4-ethylsulfonylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FXJPNEMXRVITSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-4-22(20,21)12-7-5-11(6-8-12)9(2)16-14-18-10(3)17-13(15)19-14/h5-9H,4H2,1-3H3,(H3,15,16,17,18,19).
What are the key properties of 2-N-[1-(4-ethylsulfonylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine?
2-N-[1-(4-ethylsulfonylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 321.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-ethylsulfonylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22965428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).