4-ethylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine

C12H21N5OS — CID 2992695

IUPAC4-ethylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCSc1nc(NC(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C12H21N5OS/c1-4-19-12-15-10(13-9(2)3)14-11(16-12)17-5-7-18-8-6-17/h9H,4-8H2,1-3H3,(H,13,14,15,16)
InChIKeyIGMJUETYYBWIHH-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.64
Rot. Bonds5

About 4-ethylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine

4-ethylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 2992695) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-ethylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID2992695
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name4-ethylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCSc1nc(NC(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C12H21N5OS/c1-4-19-12-15-10(13-9(2)3)14-11(16-12)17-5-7-18-8-6-17/h9H,4-8H2,1-3H3,(H,13,14,15,16)
InChIKeyIGMJUETYYBWIHH-UHFFFAOYSA-N
XLogP1.64
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-ethylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-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

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine (CID 2992695) is 4-ethylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine is CCSc1nc(NC(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of 4-ethylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is IGMJUETYYBWIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-4-19-12-15-10(13-9(2)3)14-11(16-12)17-5-7-18-8-6-17/h9H,4-8H2,1-3H3,(H,13,14,15,16).
What are the key properties of 4-ethylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine?
4-ethylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 283.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2992695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).