4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine

C13H22N4O2S — CID 80889258

IUPAC4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC)nc(SC2CCOCC2)n1
InChIInChI=1S/C13H22N4O2S/c1-3-7-14-11-15-12(19-4-2)17-13(16-11)20-10-5-8-18-9-6-10/h10H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyZVDSGUPNFYQMLF-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.36
Rot. Bonds7

About 4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine

4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80889258) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
PubChem CID80889258
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC)nc(SC2CCOCC2)n1
InChIInChI=1S/C13H22N4O2S/c1-3-7-14-11-15-12(19-4-2)17-13(16-11)20-10-5-8-18-9-6-10/h10H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyZVDSGUPNFYQMLF-UHFFFAOYSA-N
XLogP2.36
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80888903
4-(oxan-4-ylsulfanyl)-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80887761
6-ethoxy-2-N-methyl-2-N-(oxan-4-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80775272
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80879481
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
4-methoxy-6-(2-methyloxolan-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 107765081
4-chloro-6-ethoxy-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
CID 63706907
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
6-ethoxy-2-N-(3-methylcyclopentyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 114541934
4-ethoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 107785153

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine (CID 80889258) is 4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OCC)nc(SC2CCOCC2)n1.
What is the InChIKey of 4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is ZVDSGUPNFYQMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-7-14-11-15-12(19-4-2)17-13(16-11)20-10-5-8-18-9-6-10/h10H,3-9H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine?
4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 298.41 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(oxan-4-ylsulfanyl)-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80889258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).