N-methyl-N-[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]acetamide

C10H17N5OS — CID 91734593

IUPACN-methyl-N-[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]acetamide
SMILESCSc1nc(NC(C)C)nc(N(C)C(C)=O)n1
InChIInChI=1S/C10H17N5OS/c1-6(2)11-8-12-9(15(4)7(3)16)14-10(13-8)17-5/h6H,1-5H3,(H,11,12,13,14)
InChIKeyGDMKIMXLSGTMMH-UHFFFAOYSA-N
MW255.35 g/mol
LogP1.40
Rot. Bonds4

About N-methyl-N-[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]acetamide

N-methyl-N-[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]acetamide (PubChem CID 91734593) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is N-methyl-N-[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]acetamide
PubChem CID91734593
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC NameN-methyl-N-[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]acetamide
SMILESCSc1nc(NC(C)C)nc(N(C)C(C)=O)n1
InChIInChI=1S/C10H17N5OS/c1-6(2)11-8-12-9(15(4)7(3)16)14-10(13-8)17-5/h6H,1-5H3,(H,11,12,13,14)
InChIKeyGDMKIMXLSGTMMH-UHFFFAOYSA-N
XLogP1.40
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]acetamide 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-methyl-N-[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-methyl-N-[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]acetamide (CID 91734593) is N-methyl-N-[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-methyl-N-[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]acetamide is CSc1nc(NC(C)C)nc(N(C)C(C)=O)n1.
What is the InChIKey of N-methyl-N-[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]acetamide?
The InChIKey is GDMKIMXLSGTMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-6(2)11-8-12-9(15(4)7(3)16)14-10(13-8)17-5/h6H,1-5H3,(H,11,12,13,14).
What are the key properties of N-methyl-N-[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]acetamide?
N-methyl-N-[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]acetamide has a molecular weight of 255.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 91734593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).