2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide

C11H19ClN6O — CID 62864642

IUPAC2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C11H19ClN6O/c1-5-6-18(7-8(19)13-2)11-15-9(12)14-10(16-11)17(3)4/h5-7H2,1-4H3,(H,13,19)
InChIKeyDRDRQFFNJDQMIW-UHFFFAOYSA-N
MW286.77 g/mol
LogP0.55
Rot. Bonds6

About 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide

2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide (PubChem CID 62864642) has the molecular formula C11H19ClN6O and a molecular weight of 286.77 g/mol. Its IUPAC name is 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide
PubChem CID62864642
Molecular FormulaC11H19ClN6O
Molecular Weight286.77 g/mol
Exact Mass286.13
IUPAC Name2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C11H19ClN6O/c1-5-6-18(7-8(19)13-2)11-15-9(12)14-10(16-11)17(3)4/h5-7H2,1-4H3,(H,13,19)
InChIKeyDRDRQFFNJDQMIW-UHFFFAOYSA-N
XLogP0.55
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide?
The IUPAC name of 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide (CID 62864642) is 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)c1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide?
The InChIKey is DRDRQFFNJDQMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN6O/c1-5-6-18(7-8(19)13-2)11-15-9(12)14-10(16-11)17(3)4/h5-7H2,1-4H3,(H,13,19).
What are the key properties of 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide?
2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide has a molecular weight of 286.77 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide is sourced from PubChem (CID 62864642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).