4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine

C13H12N6S — CID 80886142

IUPAC4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCc1cccc(Sc2nc(N)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C13H12N6S/c1-9-3-2-4-10(7-9)20-13-17-11(14)16-12(18-13)19-6-5-15-8-19/h2-8H,1H3,(H2,14,16,17,18)
InChIKeyQLVWFWBVZPTZGT-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.10
Rot. Bonds3

About 4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine

4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine (PubChem CID 80886142) has the molecular formula C13H12N6S and a molecular weight of 284.35 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
PubChem CID80886142
Molecular FormulaC13H12N6S
Molecular Weight284.35 g/mol
Exact Mass284.08
IUPAC Name4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCc1cccc(Sc2nc(N)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C13H12N6S/c1-9-3-2-4-10(7-9)20-13-17-11(14)16-12(18-13)19-6-5-15-8-19/h2-8H,1H3,(H2,14,16,17,18)
InChIKeyQLVWFWBVZPTZGT-UHFFFAOYSA-N
XLogP2.10
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80886477
4-butan-2-ylsulfanyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80887918
4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80866768
4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80880645
6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80798257
4-imidazol-1-yl-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-amine
CID 115375454
4-(2-fluoro-4,6-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 106882750
4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80895321
4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80845966
6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80774693
4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62868144
4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80826985

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine (CID 80886142) is 4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine is Cc1cccc(Sc2nc(N)nc(-n3ccnc3)n2)c1.
What is the InChIKey of 4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The InChIKey is QLVWFWBVZPTZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6S/c1-9-3-2-4-10(7-9)20-13-17-11(14)16-12(18-13)19-6-5-15-8-19/h2-8H,1H3,(H2,14,16,17,18).
What are the key properties of 4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine has a molecular weight of 284.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80886142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).