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

C12H21N7O — CID 156812726

IUPAC2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCc1nc(N(C)CC(N)=O)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C12H21N7O/c1-9-14-11(18(3)8-10(13)20)16-12(15-9)19-6-4-17(2)5-7-19/h4-8H2,1-3H3,(H2,13,20)
InChIKeyFXRZZMRJMYKAIF-UHFFFAOYSA-N
MW279.35 g/mol
LogP-1.15
Rot. Bonds4

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

2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide (PubChem CID 156812726) has the molecular formula C12H21N7O and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
PubChem CID156812726
Molecular FormulaC12H21N7O
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCc1nc(N(C)CC(N)=O)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C12H21N7O/c1-9-14-11(18(3)8-10(13)20)16-12(15-9)19-6-4-17(2)5-7-19/h4-8H2,1-3H3,(H2,13,20)
InChIKeyFXRZZMRJMYKAIF-UHFFFAOYSA-N
XLogP-1.15
TPSA91.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The IUPAC name of 2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide (CID 156812726) is 2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The canonical SMILES for 2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide is Cc1nc(N(C)CC(N)=O)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The InChIKey is FXRZZMRJMYKAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O/c1-9-14-11(18(3)8-10(13)20)16-12(15-9)19-6-4-17(2)5-7-19/h4-8H2,1-3H3,(H2,13,20).
What are the key properties of 2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide has a molecular weight of 279.35 g/mol, XLogP of -1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide is sourced from PubChem (CID 156812726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).