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

C12H22N6O2 — CID 80788310

IUPAC2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(NCC)nc(OCC)n1
InChIInChI=1S/C12H22N6O2/c1-4-7-14-9(19)8-15-11-16-10(13-5-2)17-12(18-11)20-6-3/h4-8H2,1-3H3,(H,14,19)(H2,13,15,16,17,18)
InChIKeyQASFELNTBCZYIJ-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.64
Rot. Bonds9

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

2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide (PubChem CID 80788310) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
PubChem CID80788310
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(NCC)nc(OCC)n1
InChIInChI=1S/C12H22N6O2/c1-4-7-14-9(19)8-15-11-16-10(13-5-2)17-12(18-11)20-6-3/h4-8H2,1-3H3,(H,14,19)(H2,13,15,16,17,18)
InChIKeyQASFELNTBCZYIJ-UHFFFAOYSA-N
XLogP0.64
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 80787956
N-[2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80788350
2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 80783926
N-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80788626
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 113405709
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
2-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide
CID 80775822
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80773244
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786906
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786907
2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
CID 80787440
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80850512

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide?
The IUPAC name of 2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide (CID 80788310) is 2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide is CCCNC(=O)CNc1nc(NCC)nc(OCC)n1.
What is the InChIKey of 2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide?
The InChIKey is QASFELNTBCZYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-4-7-14-9(19)8-15-11-16-10(13-5-2)17-12(18-11)20-6-3/h4-8H2,1-3H3,(H,14,19)(H2,13,15,16,17,18).
What are the key properties of 2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide?
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide has a molecular weight of 282.35 g/mol, XLogP of 0.64, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide is sourced from PubChem (CID 80788310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).