4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine

C13H22N4OS — CID 80888903

IUPAC4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC)nc(SC2CCCC2)n1
InChIInChI=1S/C13H22N4OS/c1-3-9-14-11-15-12(18-4-2)17-13(16-11)19-10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyYIDXNSACDDUTDL-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.13
Rot. Bonds7

About 4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine

4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80888903) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80888903
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC)nc(SC2CCCC2)n1
InChIInChI=1S/C13H22N4OS/c1-3-9-14-11-15-12(18-4-2)17-13(16-11)19-10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyYIDXNSACDDUTDL-UHFFFAOYSA-N
XLogP3.13
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
CID 80889258
2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500
2-N-cyclohexyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766247
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
2-N-(1-cyclopentylethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80820353
4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80887761
4-cyclopentylsulfanyl-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80887621
4-cyclopentylsulfanyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 80887756
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
2-[[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80831703
6-ethoxy-2-N-(3-methylcyclohexyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771171
6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 114541934

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine (CID 80888903) is 4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OCC)nc(SC2CCCC2)n1.
What is the InChIKey of 4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is YIDXNSACDDUTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-3-9-14-11-15-12(18-4-2)17-13(16-11)19-10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 282.41 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80888903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).