2-N,2-N-dimethyl-6-[[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine

C15H18N8S — CID 56789212

IUPAC2-N,2-N-dimethyl-6-[[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2nccn2Cc2ccccn2)n1
InChIInChI=1S/C15H18N8S/c1-22(2)14-20-12(19-13(16)21-14)10-24-15-18-7-8-23(15)9-11-5-3-4-6-17-11/h3-8H,9-10H2,1-2H3,(H2,16,19,20,21)
InChIKeyYJTYIGDXFJYNMA-UHFFFAOYSA-N
MW342.43 g/mol
LogP1.45
Rot. Bonds6

About 2-N,2-N-dimethyl-6-[[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 56789212) has the molecular formula C15H18N8S and a molecular weight of 342.43 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID56789212
Molecular FormulaC15H18N8S
Molecular Weight342.43 g/mol
Exact Mass342.14
IUPAC Name2-N,2-N-dimethyl-6-[[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2nccn2Cc2ccccn2)n1
InChIInChI=1S/C15H18N8S/c1-22(2)14-20-12(19-13(16)21-14)10-24-15-18-7-8-23(15)9-11-5-3-4-6-17-11/h3-8H,9-10H2,1-2H3,(H2,16,19,20,21)
InChIKeyYJTYIGDXFJYNMA-UHFFFAOYSA-N
XLogP1.45
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-N,2-N-dimethyl-6-[[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-[[1-(4-bromophenyl)imidazol-2-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 16575634
2-N,2-N-dimethyl-6-(quinolin-8-ylmethylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 41286541
6-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 17455451
2-[2-[[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]phenyl]isoindole-1,3-dione
CID 14459105
6-[(3-amino-4-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 43299776
6-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 63314122
2-N,2-N-dimethyl-6-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 17406340
2-[(1-ethylimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine
CID 25416413
2-N,2-N-dimethyl-6-[[methyl-[phenyl(pyridin-2-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine
CID 71975143
N,N-dimethyl-5-[1-(2-pyridin-2-ylethyl)imidazol-2-yl]pyrimidin-2-amine
CID 56870823
5,5-dimethyl-3-[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylethyl]imidazolidine-2,4-dione
CID 56789214
4-N-methyl-4-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80775224

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 56789212) is 2-N,2-N-dimethyl-6-[[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CSc2nccn2Cc2ccccn2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is YJTYIGDXFJYNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8S/c1-22(2)14-20-12(19-13(16)21-14)10-24-15-18-7-8-23(15)9-11-5-3-4-6-17-11/h3-8H,9-10H2,1-2H3,(H2,16,19,20,21).
What are the key properties of 2-N,2-N-dimethyl-6-[[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 342.43 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[[1-(pyridin-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56789212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).