4-(2-butoxyethoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C13H23N5O2 — CID 80861399

IUPAC4-(2-butoxyethoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCCCOCCOc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C13H23N5O2/c1-2-3-8-19-9-10-20-13-16-11(14)15-12(17-13)18-6-4-5-7-18/h2-10H2,1H3,(H2,14,15,16,17)
InChIKeyFUWFYXLSAXEZJV-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.25
Rot. Bonds8

About 4-(2-butoxyethoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-(2-butoxyethoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80861399) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-butoxyethoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80861399
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name4-(2-butoxyethoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCCCOCCOc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C13H23N5O2/c1-2-3-8-19-9-10-20-13-16-11(14)15-12(17-13)18-6-4-5-7-18/h2-10H2,1H3,(H2,14,15,16,17)
InChIKeyFUWFYXLSAXEZJV-UHFFFAOYSA-N
XLogP1.25
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-butoxyethoxy)-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

Related Compounds

4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80861779
4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80862100
4-(4,4-dimethylazepan-1-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 80842750
4-(3-methoxy-3-methylbutoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106668991
4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-propoxy-1,3,5-triazin-2-amine
CID 80779052
4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80867785
4-(cyclohexylmethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80880804
1-(4-amino-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol
CID 81108978
2-[4-(4-amino-6-propoxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol
CID 80778474
4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80837736
N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80865018
4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80791929

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-butoxyethoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80861399) is 4-(2-butoxyethoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-butoxyethoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-butoxyethoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CCCCOCCOc1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 4-(2-butoxyethoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is FUWFYXLSAXEZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-2-3-8-19-9-10-20-13-16-11(14)15-12(17-13)18-6-4-5-7-18/h2-10H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-(2-butoxyethoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-(2-butoxyethoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 281.36 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80861399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).