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

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Related Compounds

2-{[4-(Tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]thio}acetamide
CID 977257
2-({4-(Dimethylamino)-6-[(2-methylpropyl)amino]-1,3,5-triazin-2-yl}sulfanyl)acetamide
CID 2992390
2-{[4,6-Bis(isopropylamino)-1,3,5-triazin-2-yl]thio}acetamide
CID 845248
1-Methyl-1-[4-(methylsulfanyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]urea
CID 823327
1,3,5-Triazine, 2-diethylamino-4-isopropylamino-6-methylthio-
CID 15560365
Ametryne, mono-HFB, # 1
CID 91746755
Ametryne, mono-HFB, # 2
CID 91746756
2-(tert-Butylamino)-4-(cyclopropyl-acetylamino)-6-(methylthio)-s-triazine
CID 91727977
Acetamide, N-(4-((1-methylethyl)amino)-6-(methylthio)-1,3,5-triazin-2-yl)-
CID 187372
2-{[4-(Tert-butylamino)-6-(diethylamino)-1,3,5-triazin-2-yl]thio}acetamide
CID 898988
2-{[4-(Butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]thio}acetamide
CID 2234577
2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}acetamide
CID 6949428

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).