4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C11H19N5O — CID 80767228

IUPAC4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(N2CCCC2)n1
InChIInChI=1S/C11H19N5O/c1-3-12-9-13-10(16-7-5-6-8-16)15-11(14-9)17-4-2/h3-8H2,1-2H3,(H,12,13,14,15)
InChIKeyKGXWKMPOAHNNHL-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.30
Rot. Bonds5

About 4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80767228) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80767228
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(N2CCCC2)n1
InChIInChI=1S/C11H19N5O/c1-3-12-9-13-10(16-7-5-6-8-16)15-11(14-9)17-4-2/h3-8H2,1-2H3,(H,12,13,14,15)
InChIKeyKGXWKMPOAHNNHL-UHFFFAOYSA-N
XLogP1.30
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107973
N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80842497
4-[2-(dimethylamino)ethoxy]-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80879166
4-ethoxy-N-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 80820012
4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 103541981
4-(3,5-dimethylpiperidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80766730
2-[1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol
CID 107229222
4-cyclopentyloxy-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844670
4-ethoxy-N-ethyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80816942
4-ethoxy-N-ethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80776425
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80750532

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80767228) is 4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CCNc1nc(OCC)nc(N2CCCC2)n1.
What is the InChIKey of 4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is KGXWKMPOAHNNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-12-9-13-10(16-7-5-6-8-16)15-11(14-9)17-4-2/h3-8H2,1-2H3,(H,12,13,14,15).
What are the key properties of 4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 237.31 g/mol, XLogP of 1.30, 5 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-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80767228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).