4-(2-methoxyethylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine

C12H22N4O2S — CID 80883871

IUPAC4-(2-methoxyethylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC(C)C)nc(SCCOC)n1
InChIInChI=1S/C12H22N4O2S/c1-5-6-13-10-14-11(18-9(2)3)16-12(15-10)19-8-7-17-4/h9H,5-8H2,1-4H3,(H,13,14,15,16)
InChIKeyUFHXSOCQNZKTMY-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.22
Rot. Bonds9

About 4-(2-methoxyethylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine

4-(2-methoxyethylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80883871) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-methoxyethylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80883871
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name4-(2-methoxyethylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC(C)C)nc(SCCOC)n1
InChIInChI=1S/C12H22N4O2S/c1-5-6-13-10-14-11(18-9(2)3)16-12(15-10)19-8-7-17-4/h9H,5-8H2,1-4H3,(H,13,14,15,16)
InChIKeyUFHXSOCQNZKTMY-UHFFFAOYSA-N
XLogP2.22
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-methoxyethylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine (CID 80883871) is 4-(2-methoxyethylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-methoxyethylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-methoxyethylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC(C)C)nc(SCCOC)n1.
What is the InChIKey of 4-(2-methoxyethylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is UFHXSOCQNZKTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-5-6-13-10-14-11(18-9(2)3)16-12(15-10)19-8-7-17-4/h9H,5-8H2,1-4H3,(H,13,14,15,16).
What are the key properties of 4-(2-methoxyethylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine?
4-(2-methoxyethylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 286.40 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80883871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).