N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

C13H24N4OS — CID 107765332

IUPACN-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCCCCSc1nc(NCC)nc(OC(C)C)n1
InChIInChI=1S/C13H24N4OS/c1-5-7-8-9-19-13-16-11(14-6-2)15-12(17-13)18-10(3)4/h10H,5-9H2,1-4H3,(H,14,15,16,17)
InChIKeyHYLWSRXYZIIATO-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.37
Rot. Bonds9

About N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 107765332) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID107765332
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC NameN-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCCCCSc1nc(NCC)nc(OC(C)C)n1
InChIInChI=1S/C13H24N4OS/c1-5-7-8-9-19-13-16-11(14-6-2)15-12(17-13)18-10(3)4/h10H,5-9H2,1-4H3,(H,14,15,16,17)
InChIKeyHYLWSRXYZIIATO-UHFFFAOYSA-N
XLogP3.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.37
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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Launch Full Analysis

Related Compounds

2-chloro-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazine
CID 107751046
methyl 2-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80886619
4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80871999
3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol
CID 107772904
N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887629
4,6-bis(hexylsulfanyl)-N-pentyl-1,3,5-triazin-2-amine
CID 19935568
2-N-(2,3-dimethylbutyl)-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80844599
4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 106846977
4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80872353
4-N-ethyl-6-propan-2-yloxy-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine
CID 83145978
2-[butyl-[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethanol
CID 80779235
N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106928369

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 107765332) is N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is CCCCCSc1nc(NCC)nc(OC(C)C)n1.
What is the InChIKey of N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is HYLWSRXYZIIATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-5-7-8-9-19-13-16-11(14-6-2)15-12(17-13)18-10(3)4/h10H,5-9H2,1-4H3,(H,14,15,16,17).
What are the key properties of N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 284.43 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-pentylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 107765332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).