4-N-ethyl-6-methylsulfanyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine

C11H19N5OS — CID 22355009

IUPAC4-N-ethyl-6-methylsulfanyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC2CCCO2)nc(SC)n1
InChIInChI=1S/C11H19N5OS/c1-3-12-9-14-10(16-11(15-9)18-2)13-7-8-5-4-6-17-8/h8H,3-7H2,1-2H3,(H2,12,13,14,15,16)
InChIKeySOABTYGAZUAXRS-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.62
Rot. Bonds6

About 4-N-ethyl-6-methylsulfanyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-methylsulfanyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 22355009) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-N-ethyl-6-methylsulfanyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-methylsulfanyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID22355009
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name4-N-ethyl-6-methylsulfanyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC2CCCO2)nc(SC)n1
InChIInChI=1S/C11H19N5OS/c1-3-12-9-14-10(16-11(15-9)18-2)13-7-8-5-4-6-17-8/h8H,3-7H2,1-2H3,(H2,12,13,14,15,16)
InChIKeySOABTYGAZUAXRS-UHFFFAOYSA-N
XLogP1.62
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-ethyl-6-methylsulfanyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-methylsulfanyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-methylsulfanyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 22355009) is 4-N-ethyl-6-methylsulfanyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-methylsulfanyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-methylsulfanyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(NCC2CCCO2)nc(SC)n1.
What is the InChIKey of 4-N-ethyl-6-methylsulfanyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SOABTYGAZUAXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-3-12-9-14-10(16-11(15-9)18-2)13-7-8-5-4-6-17-8/h8H,3-7H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 4-N-ethyl-6-methylsulfanyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-methylsulfanyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 269.37 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-methylsulfanyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22355009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).