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

C10H16ClN5O2 — CID 55124549

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1nc(Cl)nc(OC)n1
InChIInChI=1S/C10H16ClN5O2/c1-4-5-16(6-7(17)12-2)9-13-8(11)14-10(15-9)18-3/h4-6H2,1-3H3,(H,12,17)
InChIKeySSYUXTYBPUAYEL-UHFFFAOYSA-N
MW273.72 g/mol
LogP0.50
Rot. Bonds6

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

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide (PubChem CID 55124549) has the molecular formula C10H16ClN5O2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide
PubChem CID55124549
Molecular FormulaC10H16ClN5O2
Molecular Weight273.72 g/mol
Exact Mass273.10
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1nc(Cl)nc(OC)n1
InChIInChI=1S/C10H16ClN5O2/c1-4-5-16(6-7(17)12-2)9-13-8(11)14-10(15-9)18-3/h4-6H2,1-3H3,(H,12,17)
InChIKeySSYUXTYBPUAYEL-UHFFFAOYSA-N
XLogP0.50
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(2-Acetamidoethylamino)-6-[bis(3-aminopropyl)amino]-1,3,5-triazin-2-yl]amino]acetamide
CID 168282824
N~2~-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-N~2~-cyano-N~1~-methylglycinamide
CID 972830
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 80802981
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 135042322
2-[[4-(dimethylamino)-6-[methyl(methylaminomethyl)amino]-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 176431628
2-[[4-[[acetyl(methyl)amino]methyl-methylamino]-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 176431629
2-[(4,6-Diamino-1,3,5-triazin-2-yl)-propylamino]acetamide
CID 19909968
2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-N-propylacetamide
CID 19909970
2-[[4,6-bis[bis[2-oxo-2-(propylamino)ethyl]amino]-1,3,5-triazin-2-yl]-[2-oxo-2-(propylamino)ethyl]amino]-N-propylacetamide
CID 19909972
2-[[4-amino-6-[[2-oxo-2-(propylamino)ethyl]amino]-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 139640125
N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylpropanamide
CID 154190634
N-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-N-propylacetamide
CID 154210371

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide (CID 55124549) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)c1nc(Cl)nc(OC)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide?
The InChIKey is SSYUXTYBPUAYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O2/c1-4-5-16(6-7(17)12-2)9-13-8(11)14-10(15-9)18-3/h4-6H2,1-3H3,(H,12,17).
What are the key properties of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide has a molecular weight of 273.72 g/mol, XLogP of 0.50, 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-methoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide is sourced from PubChem (CID 55124549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).