3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N,2-dimethylpropanamide

C12H23N7O — CID 106918721

IUPAC3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nc(NC)nc(N(C)C)n1
InChIInChI=1S/C12H23N7O/c1-8(9(20)13-2)7-19(6)12-16-10(14-3)15-11(17-12)18(4)5/h8H,7H2,1-6H3,(H,13,20)(H,14,15,16,17)
InChIKeyPOZOHDBRUCCQMB-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.20
Rot. Bonds6

About 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N,2-dimethylpropanamide

3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 106918721) has the molecular formula C12H23N7O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N,2-dimethylpropanamide
PubChem CID106918721
Molecular FormulaC12H23N7O
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nc(NC)nc(N(C)C)n1
InChIInChI=1S/C12H23N7O/c1-8(9(20)13-2)7-19(6)12-16-10(14-3)15-11(17-12)18(4)5/h8H,7H2,1-6H3,(H,13,20)(H,14,15,16,17)
InChIKeyPOZOHDBRUCCQMB-UHFFFAOYSA-N
XLogP-0.20
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N,2-dimethylpropanamide (CID 106918721) is 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1nc(NC)nc(N(C)C)n1.
What is the InChIKey of 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is POZOHDBRUCCQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N7O/c1-8(9(20)13-2)7-19(6)12-16-10(14-3)15-11(17-12)18(4)5/h8H,7H2,1-6H3,(H,13,20)(H,14,15,16,17).
What are the key properties of 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N,2-dimethylpropanamide?
3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 281.36 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106918721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).