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

C18H23N7S — CID 17434759

IUPAC6-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(-n2ccnc2SC(C)c2nc(N)nc(N(C)C)n2)c1C
InChIInChI=1S/C18H23N7S/c1-11-7-6-8-14(12(11)2)25-10-9-20-18(25)26-13(3)15-21-16(19)23-17(22-15)24(4)5/h6-10,13H,1-5H3,(H2,19,21,22,23)
InChIKeyORLVEUVYMLCOLD-UHFFFAOYSA-N
MW369.50 g/mol
LogP3.18
Rot. Bonds5

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

6-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 17434759) has the molecular formula C18H23N7S and a molecular weight of 369.50 g/mol. Its IUPAC name is 6-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID17434759
Molecular FormulaC18H23N7S
Molecular Weight369.50 g/mol
Exact Mass369.17
IUPAC Name6-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(-n2ccnc2SC(C)c2nc(N)nc(N(C)C)n2)c1C
InChIInChI=1S/C18H23N7S/c1-11-7-6-8-14(12(11)2)25-10-9-20-18(25)26-13(3)15-21-16(19)23-17(22-15)24(4)5/h6-10,13H,1-5H3,(H2,19,21,22,23)
InChIKeyORLVEUVYMLCOLD-UHFFFAOYSA-N
XLogP3.18
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 17434759) is 6-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is Cc1cccc(-n2ccnc2SC(C)c2nc(N)nc(N(C)C)n2)c1C.
What is the InChIKey of 6-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ORLVEUVYMLCOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7S/c1-11-7-6-8-14(12(11)2)25-10-9-20-18(25)26-13(3)15-21-16(19)23-17(22-15)24(4)5/h6-10,13H,1-5H3,(H2,19,21,22,23).
What are the key properties of 6-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 369.50 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17434759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).