3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide

C12H21ClN6O — CID 62862770

IUPAC3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide
SMILESCCN(CC)c1nc(Cl)nc(NCCC(=O)N(C)C)n1
InChIInChI=1S/C12H21ClN6O/c1-5-19(6-2)12-16-10(13)15-11(17-12)14-8-7-9(20)18(3)4/h5-8H2,1-4H3,(H,14,15,16,17)
InChIKeyGBVIGMMBNBBIDE-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.26
Rot. Bonds7

About 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide

3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide (PubChem CID 62862770) has the molecular formula C12H21ClN6O and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide
PubChem CID62862770
Molecular FormulaC12H21ClN6O
Molecular Weight300.79 g/mol
Exact Mass300.15
IUPAC Name3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide
SMILESCCN(CC)c1nc(Cl)nc(NCCC(=O)N(C)C)n1
InChIInChI=1S/C12H21ClN6O/c1-5-19(6-2)12-16-10(13)15-11(17-12)14-8-7-9(20)18(3)4/h5-8H2,1-4H3,(H,14,15,16,17)
InChIKeyGBVIGMMBNBBIDE-UHFFFAOYSA-N
XLogP1.26
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide (CID 62862770) is 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide is CCN(CC)c1nc(Cl)nc(NCCC(=O)N(C)C)n1.
What is the InChIKey of 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide?
The InChIKey is GBVIGMMBNBBIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN6O/c1-5-19(6-2)12-16-10(13)15-11(17-12)14-8-7-9(20)18(3)4/h5-8H2,1-4H3,(H,14,15,16,17).
What are the key properties of 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide?
3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide has a molecular weight of 300.79 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 62862770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).