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

C11H19ClN6O — CID 55125563

IUPAC3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C11H19ClN6O/c1-4-6-13-8(19)5-7-14-10-15-9(12)16-11(17-10)18(2)3/h4-7H2,1-3H3,(H,13,19)(H,14,15,16,17)
InChIKeyDOGFONKFYJIDIT-UHFFFAOYSA-N
MW286.77 g/mol
LogP0.92
Rot. Bonds7

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

3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide (PubChem CID 55125563) has the molecular formula C11H19ClN6O and a molecular weight of 286.77 g/mol. Its IUPAC name is 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
PubChem CID55125563
Molecular FormulaC11H19ClN6O
Molecular Weight286.77 g/mol
Exact Mass286.13
IUPAC Name3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C11H19ClN6O/c1-4-6-13-8(19)5-7-14-10-15-9(12)16-11(17-10)18(2)3/h4-7H2,1-3H3,(H,13,19)(H,14,15,16,17)
InChIKeyDOGFONKFYJIDIT-UHFFFAOYSA-N
XLogP0.92
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide?
The IUPAC name of 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide (CID 55125563) is 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide is CCCNC(=O)CCNc1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide?
The InChIKey is DOGFONKFYJIDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN6O/c1-4-6-13-8(19)5-7-14-10-15-9(12)16-11(17-10)18(2)3/h4-7H2,1-3H3,(H,13,19)(H,14,15,16,17).
What are the key properties of 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide?
3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide has a molecular weight of 286.77 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide is sourced from PubChem (CID 55125563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).