4-(ethylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine

C9H16N4S — CID 65129731

IUPAC4-(ethylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCSCc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C9H16N4S/c1-4-14-5-7-11-8(6(2)3)13-9(10)12-7/h6H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyFJNJRLLLVSKCRN-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.83
Rot. Bonds4

About 4-(ethylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine

4-(ethylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 65129731) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID65129731
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name4-(ethylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCSCc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C9H16N4S/c1-4-14-5-7-11-8(6(2)3)13-9(10)12-7/h6H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyFJNJRLLLVSKCRN-UHFFFAOYSA-N
XLogP1.83
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(ethylsulfanylmethyl)-6-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-(ethylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(ethylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine (CID 65129731) is 4-(ethylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(ethylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(ethylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine is CCSCc1nc(N)nc(C(C)C)n1.
What is the InChIKey of 4-(ethylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is FJNJRLLLVSKCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-4-14-5-7-11-8(6(2)3)13-9(10)12-7/h6H,4-5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 4-(ethylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
4-(ethylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 212.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 65129731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).