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

C12H21N5O — CID 80766993

IUPACN-ethyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NCC)nc(N2CCCC2)n1
InChIInChI=1S/C12H21N5O/c1-3-9-18-12-15-10(13-4-2)14-11(16-12)17-7-5-6-8-17/h3-9H2,1-2H3,(H,13,14,15,16)
InChIKeyODUOHMKLTMFMGR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.69
Rot. Bonds6

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

N-ethyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80766993) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-ethyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80766993
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-ethyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NCC)nc(N2CCCC2)n1
InChIInChI=1S/C12H21N5O/c1-3-9-18-12-15-10(13-4-2)14-11(16-12)17-7-5-6-8-17/h3-9H2,1-2H3,(H,13,14,15,16)
InChIKeyODUOHMKLTMFMGR-UHFFFAOYSA-N
XLogP1.69
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80766993) is N-ethyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CCCOc1nc(NCC)nc(N2CCCC2)n1.
What is the InChIKey of N-ethyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ODUOHMKLTMFMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-9-18-12-15-10(13-4-2)14-11(16-12)17-7-5-6-8-17/h3-9H2,1-2H3,(H,13,14,15,16).
What are the key properties of N-ethyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-ethyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80766993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).