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

C13H23N5O3 — CID 103541981

IUPAC4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(N2CC(OC)C(OC)C2)n1
InChIInChI=1S/C13H23N5O3/c1-5-14-11-15-12(17-13(16-11)21-6-2)18-7-9(19-3)10(8-18)20-4/h9-10H,5-8H2,1-4H3,(H,14,15,16,17)
InChIKeyKBDBXAJGOOUPQS-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.55
Rot. Bonds7

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

4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 103541981) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
PubChem CID103541981
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Name4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(N2CC(OC)C(OC)C2)n1
InChIInChI=1S/C13H23N5O3/c1-5-14-11-15-12(17-13(16-11)21-6-2)18-7-9(19-3)10(8-18)20-4/h9-10H,5-8H2,1-4H3,(H,14,15,16,17)
InChIKeyKBDBXAJGOOUPQS-UHFFFAOYSA-N
XLogP0.55
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3,5-dimethylpiperidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80766730
4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767228
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 81465005
4-ethoxy-N-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 80820012
6-(3,4-dimethoxypyrrolidin-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 103542047
4-(3,4-dimethylpyrrolidin-1-yl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80848798
1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol
CID 106674611
1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107973
2-[1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol
CID 107229222
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
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 82751555

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine (CID 103541981) is 4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(OCC)nc(N2CC(OC)C(OC)C2)n1.
What is the InChIKey of 4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is KBDBXAJGOOUPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-5-14-11-15-12(17-13(16-11)21-6-2)18-7-9(19-3)10(8-18)20-4/h9-10H,5-8H2,1-4H3,(H,14,15,16,17).
What are the key properties of 4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 297.36 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 103541981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).