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

C13H24N6O2 — CID 80785242

IUPAC2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1nc(NC)nc(OCC)n1
InChIInChI=1S/C13H24N6O2/c1-6-8-19(9-10(20)18(4)5)12-15-11(14-3)16-13(17-12)21-7-2/h6-9H2,1-5H3,(H,14,15,16,17)
InChIKeyHQIBBYUPDHABRZ-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.62
Rot. Bonds8

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

2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propylamino]-N,N-dimethylacetamide (PubChem CID 80785242) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propylamino]-N,N-dimethylacetamide
PubChem CID80785242
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC Name2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1nc(NC)nc(OCC)n1
InChIInChI=1S/C13H24N6O2/c1-6-8-19(9-10(20)18(4)5)12-15-11(14-3)16-13(17-12)21-7-2/h6-9H2,1-5H3,(H,14,15,16,17)
InChIKeyHQIBBYUPDHABRZ-UHFFFAOYSA-N
XLogP0.62
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[butyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80820792
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide
CID 80785634
6-ethoxy-2-N,2-N-bis(2-methoxyethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80795238
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide
CID 55124740
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-propylamino]-N,N-dimethylacetamide
CID 62868725
2-[cyanomethyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetonitrile
CID 80753645
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-propylamino]ethanol
CID 80895688
N-cyclopropyl-2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 80820491
6-ethoxy-2-N-ethyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80774432
N,N-dimethyl-2-[methyl-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80780568
6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80849779
N-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80785605

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propylamino]-N,N-dimethylacetamide (CID 80785242) is 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1nc(NC)nc(OCC)n1.
What is the InChIKey of 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propylamino]-N,N-dimethylacetamide?
The InChIKey is HQIBBYUPDHABRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-6-8-19(9-10(20)18(4)5)12-15-11(14-3)16-13(17-12)21-7-2/h6-9H2,1-5H3,(H,14,15,16,17).
What are the key properties of 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propylamino]-N,N-dimethylacetamide?
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propylamino]-N,N-dimethylacetamide has a molecular weight of 296.38 g/mol, XLogP of 0.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 80785242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).