4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine

C13H25N5OS — CID 80890906

IUPAC4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(SCCN(CC)CC)n1
InChIInChI=1S/C13H25N5OS/c1-5-9-19-12-15-11(14-4)16-13(17-12)20-10-8-18(6-2)7-3/h5-10H2,1-4H3,(H,14,15,16,17)
InChIKeyCMTRFMCFBKMOPE-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.14
Rot. Bonds10

About 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine

4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80890906) has the molecular formula C13H25N5OS and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80890906
Molecular FormulaC13H25N5OS
Molecular Weight299.44 g/mol
Exact Mass299.18
IUPAC Name4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(SCCN(CC)CC)n1
InChIInChI=1S/C13H25N5OS/c1-5-9-19-12-15-11(14-4)16-13(17-12)20-10-8-18(6-2)7-3/h5-10H2,1-4H3,(H,14,15,16,17)
InChIKeyCMTRFMCFBKMOPE-UHFFFAOYSA-N
XLogP2.14
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-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

methyl 2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80886259
4-methoxy-N-methyl-6-propylsulfanyl-1,3,5-triazin-2-amine
CID 80886919
2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 112667737
N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80887454
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80885091
2-N-butan-2-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80765920
4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80887405
4-methoxy-6-(2-methoxyethylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 80883876
N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80894790
N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-propoxy-1,3,5-triazin-2-amine
CID 115384338
methyl 3-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]propanoate
CID 80885613

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine (CID 80890906) is 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(SCCN(CC)CC)n1.
What is the InChIKey of 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is CMTRFMCFBKMOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5OS/c1-5-9-19-12-15-11(14-4)16-13(17-12)20-10-8-18(6-2)7-3/h5-10H2,1-4H3,(H,14,15,16,17).
What are the key properties of 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 299.44 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80890906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).