6-ethoxy-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine

C13H25N5OS — CID 115988830

IUPAC6-ethoxy-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(OCC)nc(N(C)C(C)CSC)n1
InChIInChI=1S/C13H25N5OS/c1-6-8-14-11-15-12(17-13(16-11)19-7-2)18(4)10(3)9-20-5/h10H,6-9H2,1-5H3,(H,14,15,16,17)
InChIKeyITAGBGIIZDMREH-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.28
Rot. Bonds9

About 6-ethoxy-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 115988830) has the molecular formula C13H25N5OS and a molecular weight of 299.44 g/mol. Its IUPAC name is 6-ethoxy-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID115988830
Molecular FormulaC13H25N5OS
Molecular Weight299.44 g/mol
Exact Mass299.18
IUPAC Name6-ethoxy-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(OCC)nc(N(C)C(C)CSC)n1
InChIInChI=1S/C13H25N5OS/c1-6-8-14-11-15-12(17-13(16-11)19-7-2)18(4)10(3)9-20-5/h10H,6-9H2,1-5H3,(H,14,15,16,17)
InChIKeyITAGBGIIZDMREH-UHFFFAOYSA-N
XLogP2.28
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-ethoxy-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-4-N-propyl-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

Related Compounds

6-ethoxy-2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80808604
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
6-methoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80810740
6-ethoxy-2-N-ethyl-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80790033
2-N-methyl-2-N-propan-2-yl-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80764899
6-ethoxy-2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80795623
6-ethoxy-2-N-ethyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80774432
6-methoxy-2-N-methyl-2-N-(3-methylbutan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80793517
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80770559
6-ethoxy-2-N-(3-methoxypropyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80824057
6-ethoxy-2-N-methyl-2-N-(oxan-4-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80775272
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 115988830) is 6-ethoxy-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(OCC)nc(N(C)C(C)CSC)n1.
What is the InChIKey of 6-ethoxy-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ITAGBGIIZDMREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5OS/c1-6-8-14-11-15-12(17-13(16-11)19-7-2)18(4)10(3)9-20-5/h10H,6-9H2,1-5H3,(H,14,15,16,17).
What are the key properties of 6-ethoxy-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 299.44 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 115988830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).