4-(4-butoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C14H18N4OS — CID 78909346

IUPAC4-(4-butoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCCCCOc1ccc(-c2nc(N)nc(SC)n2)cc1
InChIInChI=1S/C14H18N4OS/c1-3-4-9-19-11-7-5-10(6-8-11)12-16-13(15)18-14(17-12)20-2/h5-8H,3-4,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyDRRWVGYWCZAXCB-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.02
Rot. Bonds6

About 4-(4-butoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

4-(4-butoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 78909346) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-(4-butoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-butoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID78909346
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-(4-butoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCCCCOc1ccc(-c2nc(N)nc(SC)n2)cc1
InChIInChI=1S/C14H18N4OS/c1-3-4-9-19-11-7-5-10(6-8-11)12-16-13(15)18-14(17-12)20-2/h5-8H,3-4,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyDRRWVGYWCZAXCB-UHFFFAOYSA-N
XLogP3.02
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methylsulfanyl-6-quinoxalin-6-yl-1,3,5-triazin-2-amine
CID 83084099
2-(4-butoxyphenyl)-4-chloro-5,6-dimethylpyrimidine
CID 82168908
5-heptoxy-2-(4-octoxyphenyl)pyrimidine
CID 14794369
3-(4-butoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 168997991
4-(4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 55250868
2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850497
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
5-octoxy-2-[4-[7-[4-[5-[7-[4-(4-octoxyphenyl)phenoxy]heptoxy]pyrimidin-2-yl]phenoxy]heptoxy]phenyl]pyrimidine
CID 132525748
2,5-bis(4-hexoxyphenyl)pyrimidine
CID 23167568
4,6-dichloro-2-(4-propoxyphenyl)pyrimidine
CID 63612097
4-(4-butoxyphenyl)-1,3-oxazol-2-amine
CID 95448867

Frequently Asked Questions

What is the IUPAC name of 4-(4-butoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-butoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 78909346) is 4-(4-butoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-butoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-butoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CCCCOc1ccc(-c2nc(N)nc(SC)n2)cc1.
What is the InChIKey of 4-(4-butoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is DRRWVGYWCZAXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-4-9-19-11-7-5-10(6-8-11)12-16-13(15)18-14(17-12)20-2/h5-8H,3-4,9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-(4-butoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(4-butoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 290.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 78909346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).