4-chloro-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C8H13ClN4S — CID 14362429

IUPAC4-chloro-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(Cl)nc(NCC(C)C)n1
InChIInChI=1S/C8H13ClN4S/c1-5(2)4-10-7-11-6(9)12-8(13-7)14-3/h5H,4H2,1-3H3,(H,10,11,12,13)
InChIKeyJMTTZSNLELBHLA-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.31
Rot. Bonds4

About 4-chloro-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

4-chloro-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 14362429) has the molecular formula C8H13ClN4S and a molecular weight of 232.74 g/mol. Its IUPAC name is 4-chloro-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID14362429
Molecular FormulaC8H13ClN4S
Molecular Weight232.74 g/mol
Exact Mass232.05
IUPAC Name4-chloro-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(Cl)nc(NCC(C)C)n1
InChIInChI=1S/C8H13ClN4S/c1-5(2)4-10-7-11-6(9)12-8(13-7)14-3/h5H,4H2,1-3H3,(H,10,11,12,13)
InChIKeyJMTTZSNLELBHLA-UHFFFAOYSA-N
XLogP2.31
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-(2-methylpropyl)-6-methylsulfanyl-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-chloro-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 14362429) is 4-chloro-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(Cl)nc(NCC(C)C)n1.
What is the InChIKey of 4-chloro-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is JMTTZSNLELBHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4S/c1-5(2)4-10-7-11-6(9)12-8(13-7)14-3/h5H,4H2,1-3H3,(H,10,11,12,13).
What are the key properties of 4-chloro-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-chloro-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 232.74 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 14362429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).