2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide

C12H23N7O — CID 80821043

IUPAC2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide
SMILESCNc1nc(N(C)C)nc(N(CC(N)=O)CC(C)C)n1
InChIInChI=1S/C12H23N7O/c1-8(2)6-19(7-9(13)20)12-16-10(14-3)15-11(17-12)18(4)5/h8H,6-7H2,1-5H3,(H2,13,20)(H,14,15,16,17)
InChIKeyCLDYJEGLUNFDGZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.07
Rot. Bonds7

About 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide

2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide (PubChem CID 80821043) has the molecular formula C12H23N7O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide
PubChem CID80821043
Molecular FormulaC12H23N7O
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide
SMILESCNc1nc(N(C)C)nc(N(CC(N)=O)CC(C)C)n1
InChIInChI=1S/C12H23N7O/c1-8(2)6-19(7-9(13)20)12-16-10(14-3)15-11(17-12)18(4)5/h8H,6-7H2,1-5H3,(H2,13,20)(H,14,15,16,17)
InChIKeyCLDYJEGLUNFDGZ-UHFFFAOYSA-N
XLogP-0.07
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N,2-dimethylpropanamide
CID 106918721
2-[(5-amino-1H-1,2,4-triazol-3-yl)-(2-methylpropyl)amino]acetamide
CID 66276488
3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropanamide
CID 106280499
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
CID 80820561
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol
CID 113426550
2-[butyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80820792
2-[(2-hydrazinylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80901634
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80805912
2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
CID 80821267
2-[(4-cyano-6-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetamide
CID 107544113
2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80805678
2-N-ethyl-4-N,4-N,6-N-trimethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80773692

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide (CID 80821043) is 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide is CNc1nc(N(C)C)nc(N(CC(N)=O)CC(C)C)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide?
The InChIKey is CLDYJEGLUNFDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N7O/c1-8(2)6-19(7-9(13)20)12-16-10(14-3)15-11(17-12)18(4)5/h8H,6-7H2,1-5H3,(H2,13,20)(H,14,15,16,17).
What are the key properties of 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide?
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide has a molecular weight of 281.36 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 80821043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).