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

C12H20ClN5O2 — CID 62863465

IUPAC3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(Cl)nc(OCCC)n1
InChIInChI=1S/C12H20ClN5O2/c1-3-6-14-9(19)5-7-15-11-16-10(13)17-12(18-11)20-8-4-2/h3-8H2,1-2H3,(H,14,19)(H,15,16,17,18)
InChIKeyZYKXIOCORXGEDI-UHFFFAOYSA-N
MW301.78 g/mol
LogP1.64
Rot. Bonds9

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

3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide (PubChem CID 62863465) has the molecular formula C12H20ClN5O2 and a molecular weight of 301.78 g/mol. Its IUPAC name is 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
PubChem CID62863465
Molecular FormulaC12H20ClN5O2
Molecular Weight301.78 g/mol
Exact Mass301.13
IUPAC Name3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(Cl)nc(OCCC)n1
InChIInChI=1S/C12H20ClN5O2/c1-3-6-14-9(19)5-7-15-11-16-10(13)17-12(18-11)20-8-4-2/h3-8H2,1-2H3,(H,14,19)(H,15,16,17,18)
InChIKeyZYKXIOCORXGEDI-UHFFFAOYSA-N
XLogP1.64
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
CID 80819257
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate
CID 83204945
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 62858233
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol
CID 80860791
methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80775157
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
CID 106279495
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
ethyl 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanoate
CID 62858556
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1-sulfonamide
CID 62862604
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341615
4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine
CID 80870973
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 62864552

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide (CID 62863465) is 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1nc(Cl)nc(OCCC)n1.
What is the InChIKey of 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide?
The InChIKey is ZYKXIOCORXGEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O2/c1-3-6-14-9(19)5-7-15-11-16-10(13)17-12(18-11)20-8-4-2/h3-8H2,1-2H3,(H,14,19)(H,15,16,17,18).
What are the key properties of 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide?
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide has a molecular weight of 301.78 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 62863465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).