4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine

C15H20N4OS — CID 80872521

IUPAC4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(Sc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H20N4OS/c1-9(2)11-5-7-12(8-6-11)21-15-18-13(16)17-14(19-15)20-10(3)4/h5-10H,1-4H3,(H2,16,17,18,19)
InChIKeySKMBZAKVCGXLMJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.52
Rot. Bonds5

About 4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine

4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine (PubChem CID 80872521) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
PubChem CID80872521
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(Sc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H20N4OS/c1-9(2)11-5-7-12(8-6-11)21-15-18-13(16)17-14(19-15)20-10(3)4/h5-10H,1-4H3,(H2,16,17,18,19)
InChIKeySKMBZAKVCGXLMJ-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883341
4-(4-propan-2-ylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80872646
4-(3,4-difluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80887729
4-benzylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80887476
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 80891784
4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80887289
4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80886826
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 80890555
(4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80923978
N-ethyl-4-methoxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80872033
2-methoxy-6-(4-propan-2-ylphenyl)sulfanylpyridin-3-amine
CID 43262707
5-bromo-4-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-amine
CID 80884952

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine (CID 80872521) is 4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine is CC(C)Oc1nc(N)nc(Sc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The InChIKey is SKMBZAKVCGXLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9(2)11-5-7-12(8-6-11)21-15-18-13(16)17-14(19-15)20-10(3)4/h5-10H,1-4H3,(H2,16,17,18,19).
What are the key properties of 4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine?
4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine has a molecular weight of 304.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80872521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).