4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine

C12H22N4O2 — CID 80859393

IUPAC4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(OCCC(C)C)n1
InChIInChI=1S/C12H22N4O2/c1-5-13-10-14-11(17-6-2)16-12(15-10)18-8-7-9(3)4/h9H,5-8H2,1-4H3,(H,13,14,15,16)
InChIKeyIFMKJLKAKBHFEO-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.13
Rot. Bonds8

About 4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine

4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine (PubChem CID 80859393) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine
PubChem CID80859393
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(OCCC(C)C)n1
InChIInChI=1S/C12H22N4O2/c1-5-13-10-14-11(17-6-2)16-12(15-10)18-8-7-9(3)4/h9H,5-8H2,1-4H3,(H,13,14,15,16)
InChIKeyIFMKJLKAKBHFEO-UHFFFAOYSA-N
XLogP2.13
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-methoxy-6-(3-methylbutoxy)-1,3,5-triazin-2-amine
CID 80858244
N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861519
4-(2-butoxyethoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80861104
4-N-ethyl-2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80819620
[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909820
N-ethyl-4-(3-methylbutoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80858159
1-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 80826303
6-ethoxy-4-N-ethyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296113
4-ethoxy-N-ethyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80846373
4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 82010193
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366495
4-(3,3-dimethylbutoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80877652

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine (CID 80859393) is 4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine is CCNc1nc(OCC)nc(OCCC(C)C)n1.
What is the InChIKey of 4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine?
The InChIKey is IFMKJLKAKBHFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-13-10-14-11(17-6-2)16-12(15-10)18-8-7-9(3)4/h9H,5-8H2,1-4H3,(H,13,14,15,16).
What are the key properties of 4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine?
4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine has a molecular weight of 254.33 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-6-(3-methylbutoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80859393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).