2-N-(2,4-dimethylphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

C16H19N7S — CID 899532

IUPAC2-N-(2,4-dimethylphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)nc(CSc3nccn3C)n2)c(C)c1
InChIInChI=1S/C16H19N7S/c1-10-4-5-12(11(2)8-10)19-15-21-13(20-14(17)22-15)9-24-16-18-6-7-23(16)3/h4-8H,9H2,1-3H3,(H3,17,19,20,21,22)
InChIKeyBNCPUXQAUUDPQY-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.84
Rot. Bonds5

About 2-N-(2,4-dimethylphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

2-N-(2,4-dimethylphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 899532) has the molecular formula C16H19N7S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-N-(2,4-dimethylphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethylphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID899532
Molecular FormulaC16H19N7S
Molecular Weight341.44 g/mol
Exact Mass341.14
IUPAC Name2-N-(2,4-dimethylphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)nc(CSc3nccn3C)n2)c(C)c1
InChIInChI=1S/C16H19N7S/c1-10-4-5-12(11(2)8-10)19-15-21-13(20-14(17)22-15)9-24-16-18-6-7-23(16)3/h4-8H,9H2,1-3H3,(H3,17,19,20,21,22)
InChIKeyBNCPUXQAUUDPQY-UHFFFAOYSA-N
XLogP2.84
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-(2,4-dimethylphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(2-methylphenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 2545080
6-(4-Methyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-N-p-tolyl-[1,3,5]triazine-2,4-diamine
CID 751849
N-(3,5-dimethylphenyl)-2-((1-phenyl-1H-imidazol-2-yl)thio)acetamide
CID 866679
4-ethylbenzyl 1-phenyl-1H-imidazol-2-yl sulfide
CID 1477535
1,3-Bis(2,4,6-trimethylphenyl)imidazolium chloride
CID 2734211
6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 895487
N-mesityl-2-[(1-methyl-1H-imidazol-2-yl)thio]acetamide
CID 708564
6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 900603
N-mesityl-2-{[4-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 1014801
4-(2-methylimidazol-1-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 16086295
2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide
CID 4883426
N-(4-acetamidophenyl)-2-(1-benzylimidazol-2-yl)sulfanylacetamide
CID 1260040

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethylphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,4-dimethylphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 899532) is 2-N-(2,4-dimethylphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,4-dimethylphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,4-dimethylphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is Cc1ccc(Nc2nc(N)nc(CSc3nccn3C)n2)c(C)c1.
What is the InChIKey of 2-N-(2,4-dimethylphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is BNCPUXQAUUDPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7S/c1-10-4-5-12(11(2)8-10)19-15-21-13(20-14(17)22-15)9-24-16-18-6-7-23(16)3/h4-8H,9H2,1-3H3,(H3,17,19,20,21,22).
What are the key properties of 2-N-(2,4-dimethylphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
2-N-(2,4-dimethylphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 341.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethylphenyl)-6-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 899532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).