4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

C15H20N4OS — CID 80887289

IUPAC4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1cc(C)cc(CSc2nc(N)nc(OC(C)C)n2)c1
InChIInChI=1S/C15H20N4OS/c1-9(2)20-14-17-13(16)18-15(19-14)21-8-12-6-10(3)5-11(4)7-12/h5-7,9H,8H2,1-4H3,(H2,16,17,18,19)
InChIKeyKJCICZQGRNRNOM-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.15
Rot. Bonds5

About 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80887289) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80887289
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1cc(C)cc(CSc2nc(N)nc(OC(C)C)n2)c1
InChIInChI=1S/C15H20N4OS/c1-9(2)20-14-17-13(16)18-15(19-14)21-8-12-6-10(3)5-11(4)7-12/h5-7,9H,8H2,1-4H3,(H2,16,17,18,19)
InChIKeyKJCICZQGRNRNOM-UHFFFAOYSA-N
XLogP3.15
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-benzylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80887476
4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propoxy-1,3,5-triazin-2-amine
CID 80888591
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 80890555
4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80872521
4,6-dimethyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine
CID 4620761
4-(3,4-difluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80887729
4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883341
4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80871999
4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80886826
4-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335268
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]aniline
CID 55211161
2-[(3,5-dimethylphenyl)methylsulfanyl]-4-methylaniline
CID 79142554

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80887289) is 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is Cc1cc(C)cc(CSc2nc(N)nc(OC(C)C)n2)c1.
What is the InChIKey of 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is KJCICZQGRNRNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9(2)20-14-17-13(16)18-15(19-14)21-8-12-6-10(3)5-11(4)7-12/h5-7,9H,8H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 304.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).