2-N,2-N-dimethyl-6-[1-(2-methylphenyl)sulfanylethyl]-1,3,5-triazine-2,4-diamine

C14H19N5S — CID 47357389

IUPAC2-N,2-N-dimethyl-6-[1-(2-methylphenyl)sulfanylethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1SC(C)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C14H19N5S/c1-9-7-5-6-8-11(9)20-10(2)12-16-13(15)18-14(17-12)19(3)4/h5-8,10H,1-4H3,(H2,15,16,17,18)
InChIKeyOKUBKAIVSCUJRU-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.68
Rot. Bonds4

About 2-N,2-N-dimethyl-6-[1-(2-methylphenyl)sulfanylethyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[1-(2-methylphenyl)sulfanylethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 47357389) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[1-(2-methylphenyl)sulfanylethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[1-(2-methylphenyl)sulfanylethyl]-1,3,5-triazine-2,4-diamine
PubChem CID47357389
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name2-N,2-N-dimethyl-6-[1-(2-methylphenyl)sulfanylethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1SC(C)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C14H19N5S/c1-9-7-5-6-8-11(9)20-10(2)12-16-13(15)18-14(17-12)19(3)4/h5-8,10H,1-4H3,(H2,15,16,17,18)
InChIKeyOKUBKAIVSCUJRU-UHFFFAOYSA-N
XLogP2.68
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[1-(2-methylphenyl)sulfanylethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[1-(2-methylphenyl)sulfanylethyl]-1,3,5-triazine-2,4-diamine (CID 47357389) is 2-N,2-N-dimethyl-6-[1-(2-methylphenyl)sulfanylethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[1-(2-methylphenyl)sulfanylethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[1-(2-methylphenyl)sulfanylethyl]-1,3,5-triazine-2,4-diamine is Cc1ccccc1SC(C)c1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[1-(2-methylphenyl)sulfanylethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is OKUBKAIVSCUJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-9-7-5-6-8-11(9)20-10(2)12-16-13(15)18-14(17-12)19(3)4/h5-8,10H,1-4H3,(H2,15,16,17,18).
What are the key properties of 2-N,2-N-dimethyl-6-[1-(2-methylphenyl)sulfanylethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[1-(2-methylphenyl)sulfanylethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 289.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[1-(2-methylphenyl)sulfanylethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 47357389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).