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

C15H17N7S — CID 900603

IUPAC6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)nc(CSc3nccn3C)n2)cc1
InChIInChI=1S/C15H17N7S/c1-10-3-5-11(6-4-10)18-14-20-12(19-13(16)21-14)9-23-15-17-7-8-22(15)2/h3-8H,9H2,1-2H3,(H3,16,18,19,20,21)
InChIKeyQGFBFJBHEFCMAZ-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.53
Rot. Bonds5

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

6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 900603) has the molecular formula C15H17N7S and a molecular weight of 327.42 g/mol. Its IUPAC name is 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID900603
Molecular FormulaC15H17N7S
Molecular Weight327.42 g/mol
Exact Mass327.13
IUPAC Name6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)nc(CSc3nccn3C)n2)cc1
InChIInChI=1S/C15H17N7S/c1-10-3-5-11(6-4-10)18-14-20-12(19-13(16)21-14)9-23-15-17-7-8-22(15)2/h3-8H,9H2,1-2H3,(H3,16,18,19,20,21)
InChIKeyQGFBFJBHEFCMAZ-UHFFFAOYSA-N
XLogP2.53
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-(3-(1H-imidazol-1-yl)propyl)-3-(4-ethylphenyl)thiourea
CID 6539184
2-N-(2-methylphenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 2545080
N-(3-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4879501
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
2-methylbenzyl 1-phenyl-1H-imidazol-2-yl sulfide
CID 1477494
4-ethylbenzyl 1-phenyl-1H-imidazol-2-yl sulfide
CID 1477535
4-[5-(4-Fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
CID 11012474
N-ethyl-4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]pyridin-2-amine
CID 11014118
N-ethyl-4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]pyridin-2-amine
CID 11035271
6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 895487
1-[3-(1H-imidazol-1-yl)propyl]-3-(4-methylphenyl)thiourea
CID 2929274

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 900603) is 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccc(Nc2nc(N)nc(CSc3nccn3C)n2)cc1.
What is the InChIKey of 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QGFBFJBHEFCMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7S/c1-10-3-5-11(6-4-10)18-14-20-12(19-13(16)21-14)9-23-15-17-7-8-22(15)2/h3-8H,9H2,1-2H3,(H3,16,18,19,20,21).
What are the key properties of 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 327.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 900603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).