N-[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-cyclopropylacetamide

C13H21N5OS — CID 91727977

IUPACN-[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-cyclopropylacetamide
SMILESCSc1nc(NC(C)(C)C)nc(N(C(C)=O)C2CC2)n1
InChIInChI=1S/C13H21N5OS/c1-8(19)18(9-6-7-9)11-14-10(17-13(2,3)4)15-12(16-11)20-5/h9H,6-7H2,1-5H3,(H,14,15,16,17)
InChIKeyDAZIASGCGUZIAP-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.32
Rot. Bonds4

About N-[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-cyclopropylacetamide

N-[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-cyclopropylacetamide (PubChem CID 91727977) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-cyclopropylacetamide
PubChem CID91727977
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC NameN-[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-cyclopropylacetamide
SMILESCSc1nc(NC(C)(C)C)nc(N(C(C)=O)C2CC2)n1
InChIInChI=1S/C13H21N5OS/c1-8(19)18(9-6-7-9)11-14-10(17-13(2,3)4)15-12(16-11)20-5/h9H,6-7H2,1-5H3,(H,14,15,16,17)
InChIKeyDAZIASGCGUZIAP-UHFFFAOYSA-N
XLogP2.32
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-cyclopropylacetamide 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 N-[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-cyclopropylacetamide?
The IUPAC name of N-[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-cyclopropylacetamide (CID 91727977) is N-[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-cyclopropylacetamide.
What is the SMILES notation for N-[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-cyclopropylacetamide?
The canonical SMILES for N-[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-cyclopropylacetamide is CSc1nc(NC(C)(C)C)nc(N(C(C)=O)C2CC2)n1.
What is the InChIKey of N-[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-cyclopropylacetamide?
The InChIKey is DAZIASGCGUZIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-8(19)18(9-6-7-9)11-14-10(17-13(2,3)4)15-12(16-11)20-5/h9H,6-7H2,1-5H3,(H,14,15,16,17).
What are the key properties of N-[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-cyclopropylacetamide?
N-[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-cyclopropylacetamide has a molecular weight of 295.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 91727977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).