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

C15H20N4OS — CID 80888591

IUPAC4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(SCc2cc(C)cc(C)c2)n1
InChIInChI=1S/C15H20N4OS/c1-4-5-20-14-17-13(16)18-15(19-14)21-9-12-7-10(2)6-11(3)8-12/h6-8H,4-5,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyADVPYLPKLMVOFK-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.15
Rot. Bonds6

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

4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80888591) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80888591
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(SCc2cc(C)cc(C)c2)n1
InChIInChI=1S/C15H20N4OS/c1-4-5-20-14-17-13(16)18-15(19-14)21-9-12-7-10(2)6-11(3)8-12/h6-8H,4-5,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyADVPYLPKLMVOFK-UHFFFAOYSA-N
XLogP3.15
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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

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Related Compounds

4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80887289
4-(4-propan-2-ylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80872646
4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
CID 107765495
2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80790129
4-(2,4-dimethylphenoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80862836
4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
CID 106497876
4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887884
4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80887985
2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80763432
4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80858156
4-ethoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazin-2-amine
CID 80884039
methyl 2-[1-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107778804

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propoxy-1,3,5-triazin-2-amine (CID 80888591) is 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(SCc2cc(C)cc(C)c2)n1.
What is the InChIKey of 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is ADVPYLPKLMVOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-4-5-20-14-17-13(16)18-15(19-14)21-9-12-7-10(2)6-11(3)8-12/h6-8H,4-5,9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propoxy-1,3,5-triazin-2-amine?
4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 304.42 g/mol, XLogP of 3.15, 6 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-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80888591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).