2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide

C12H22N6O2 — CID 80783926

IUPAC2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
SMILESCCCNc1nc(NCC(=O)N(C)C)nc(OCC)n1
InChIInChI=1S/C12H22N6O2/c1-5-7-13-10-15-11(14-8-9(19)18(3)4)17-12(16-10)20-6-2/h5-8H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyRYVWONBWOGORBI-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.59
Rot. Bonds8

About 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide

2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide (PubChem CID 80783926) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
PubChem CID80783926
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
SMILESCCCNc1nc(NCC(=O)N(C)C)nc(OCC)n1
InChIInChI=1S/C12H22N6O2/c1-5-7-13-10-15-11(14-8-9(19)18(3)4)17-12(16-10)20-6-2/h5-8H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyRYVWONBWOGORBI-UHFFFAOYSA-N
XLogP0.59
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 80784036
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 62857041
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80770559
6-ethoxy-2-N-[2-[ethyl(methyl)amino]ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80832327
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 80788310
6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855312
2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466702
2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80780311
N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80784037
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide
CID 114133403
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide (CID 80783926) is 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide is CCCNc1nc(NCC(=O)N(C)C)nc(OCC)n1.
What is the InChIKey of 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide?
The InChIKey is RYVWONBWOGORBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-5-7-13-10-15-11(14-8-9(19)18(3)4)17-12(16-10)20-6-2/h5-8H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide?
2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide has a molecular weight of 282.35 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 80783926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).