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

C15H20N4OS — CID 80872646

IUPAC4-(4-propan-2-ylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(Sc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H20N4OS/c1-4-9-20-14-17-13(16)18-15(19-14)21-12-7-5-11(6-8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyLNGGIKIVKXKDTF-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.52
Rot. Bonds6

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

4-(4-propan-2-ylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80872646) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-propan-2-ylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80872646
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-(4-propan-2-ylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(Sc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H20N4OS/c1-4-9-20-14-17-13(16)18-15(19-14)21-12-7-5-11(6-8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyLNGGIKIVKXKDTF-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80872521
4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
CID 107765495
4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887884
4-(1-phenylethoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80859517
4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80858156
N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80885091
4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propoxy-1,3,5-triazin-2-amine
CID 80888591
N-ethyl-4-methoxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80872033
4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80887985
N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80887454
4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine
CID 106451498
2-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80803905

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-propan-2-ylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine (CID 80872646) is 4-(4-propan-2-ylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-propan-2-ylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-propan-2-ylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(Sc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 4-(4-propan-2-ylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is LNGGIKIVKXKDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-4-9-20-14-17-13(16)18-15(19-14)21-12-7-5-11(6-8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-(4-propan-2-ylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
4-(4-propan-2-ylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 304.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80872646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).