2-methylsulfanyl-4,6-di(propan-2-yl)-2H-1,3,5-triazin-1-amine

C10H20N4S — CID 70181217

IUPAC2-methylsulfanyl-4,6-di(propan-2-yl)-2H-1,3,5-triazin-1-amine
SMILESCSC1N=C(C(C)C)N=C(C(C)C)N1N
InChIInChI=1S/C10H20N4S/c1-6(2)8-12-9(7(3)4)14(11)10(13-8)15-5/h6-7,10H,11H2,1-5H3
InChIKeyITUJTNVTYSHLGM-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.93
Rot. Bonds3

About 2-methylsulfanyl-4,6-di(propan-2-yl)-2H-1,3,5-triazin-1-amine

2-methylsulfanyl-4,6-di(propan-2-yl)-2H-1,3,5-triazin-1-amine (PubChem CID 70181217) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-methylsulfanyl-4,6-di(propan-2-yl)-2H-1,3,5-triazin-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-4,6-di(propan-2-yl)-2H-1,3,5-triazin-1-amine
PubChem CID70181217
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name2-methylsulfanyl-4,6-di(propan-2-yl)-2H-1,3,5-triazin-1-amine
SMILESCSC1N=C(C(C)C)N=C(C(C)C)N1N
InChIInChI=1S/C10H20N4S/c1-6(2)8-12-9(7(3)4)14(11)10(13-8)15-5/h6-7,10H,11H2,1-5H3
InChIKeyITUJTNVTYSHLGM-UHFFFAOYSA-N
XLogP1.93
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 2-methylsulfanyl-4,6-di(propan-2-yl)-2H-1,3,5-triazin-1-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 2-methylsulfanyl-4,6-di(propan-2-yl)-2H-1,3,5-triazin-1-amine?
The IUPAC name of 2-methylsulfanyl-4,6-di(propan-2-yl)-2H-1,3,5-triazin-1-amine (CID 70181217) is 2-methylsulfanyl-4,6-di(propan-2-yl)-2H-1,3,5-triazin-1-amine.
What is the SMILES notation for 2-methylsulfanyl-4,6-di(propan-2-yl)-2H-1,3,5-triazin-1-amine?
The canonical SMILES for 2-methylsulfanyl-4,6-di(propan-2-yl)-2H-1,3,5-triazin-1-amine is CSC1N=C(C(C)C)N=C(C(C)C)N1N.
What is the InChIKey of 2-methylsulfanyl-4,6-di(propan-2-yl)-2H-1,3,5-triazin-1-amine?
The InChIKey is ITUJTNVTYSHLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-6(2)8-12-9(7(3)4)14(11)10(13-8)15-5/h6-7,10H,11H2,1-5H3.
What are the key properties of 2-methylsulfanyl-4,6-di(propan-2-yl)-2H-1,3,5-triazin-1-amine?
2-methylsulfanyl-4,6-di(propan-2-yl)-2H-1,3,5-triazin-1-amine has a molecular weight of 228.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4,6-di(propan-2-yl)-2H-1,3,5-triazin-1-amine is sourced from PubChem (CID 70181217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).