2-[methyl-[4-(4-methylpiperazin-1-yl)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]acetamide

C12H21N7OS — CID 170373218

IUPAC2-[methyl-[4-(4-methylpiperazin-1-yl)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]acetamide
SMILESCSc1nc(N(C)CC(N)=O)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C12H21N7OS/c1-17-4-6-19(7-5-17)11-14-10(15-12(16-11)21-3)18(2)8-9(13)20/h4-8H2,1-3H3,(H2,13,20)
InChIKeyBKFOQVMHYATCMC-UHFFFAOYSA-N
MW311.42 g/mol
LogP-0.73
Rot. Bonds5

About 2-[methyl-[4-(4-methylpiperazin-1-yl)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]acetamide

2-[methyl-[4-(4-methylpiperazin-1-yl)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]acetamide (PubChem CID 170373218) has the molecular formula C12H21N7OS and a molecular weight of 311.42 g/mol. Its IUPAC name is 2-[methyl-[4-(4-methylpiperazin-1-yl)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[4-(4-methylpiperazin-1-yl)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]acetamide
PubChem CID170373218
Molecular FormulaC12H21N7OS
Molecular Weight311.42 g/mol
Exact Mass311.15
IUPAC Name2-[methyl-[4-(4-methylpiperazin-1-yl)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]acetamide
SMILESCSc1nc(N(C)CC(N)=O)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C12H21N7OS/c1-17-4-6-19(7-5-17)11-14-10(15-12(16-11)21-3)18(2)8-9(13)20/h4-8H2,1-3H3,(H2,13,20)
InChIKeyBKFOQVMHYATCMC-UHFFFAOYSA-N
XLogP-0.73
TPSA91.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-(4-methylpiperazin-1-yl)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]acetamide?
The IUPAC name of 2-[methyl-[4-(4-methylpiperazin-1-yl)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]acetamide (CID 170373218) is 2-[methyl-[4-(4-methylpiperazin-1-yl)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[4-(4-methylpiperazin-1-yl)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]acetamide?
The canonical SMILES for 2-[methyl-[4-(4-methylpiperazin-1-yl)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]acetamide is CSc1nc(N(C)CC(N)=O)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-[methyl-[4-(4-methylpiperazin-1-yl)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]acetamide?
The InChIKey is BKFOQVMHYATCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7OS/c1-17-4-6-19(7-5-17)11-14-10(15-12(16-11)21-3)18(2)8-9(13)20/h4-8H2,1-3H3,(H2,13,20).
What are the key properties of 2-[methyl-[4-(4-methylpiperazin-1-yl)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]acetamide?
2-[methyl-[4-(4-methylpiperazin-1-yl)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]acetamide has a molecular weight of 311.42 g/mol, XLogP of -0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-(4-methylpiperazin-1-yl)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]acetamide is sourced from PubChem (CID 170373218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).